62751
  -OEChem-04252401222D

 40 42  0     0  0  0  0  0  0999 V2000
    5.2153    1.0042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    0.5670    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -0.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1340   -0.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8660   -0.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1340   -1.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8660   -1.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    1.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    0.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -2.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9397    0.0430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    2.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    2.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7687   -0.5162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5567    0.0995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2147    1.0391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9219   -0.2164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5234   -0.9067    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4766   -0.9067    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0781   -0.2164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5234   -1.6914    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9219   -2.3816    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0781   -2.3816    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4766   -1.6914    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4750    1.0345    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4750    1.8315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9174    0.3549    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6077   -0.0436    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6015   -2.7740    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3985   -2.7740    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0826    2.5111    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3923    2.9096    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5250    1.8315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5250    1.0345    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6077    2.9096    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9174    2.5111    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7904   -1.1358    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1527   -0.0714    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5614    1.5532    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 17  1  0  0  0  0
  2  3  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 11  1  0  0  0  0
  4  6  1  0  0  0  0
  4 18  1  0  0  0  0
  4 19  1  0  0  0  0
  5  7  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6 10  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7 10  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8 12  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 13  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 11 15  2  0  0  0  0
 12 14  1  0  0  0  0
 12 32  1  0  0  0  0
 12 33  1  0  0  0  0
 13 14  1  0  0  0  0
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 14 36  1  0  0  0  0
 14 37  1  0  0  0  0
 15 16  1  0  0  0  0
 15 38  1  0  0  0  0
 16 17  2  0  0  0  0
 16 39  1  0  0  0  0
 17 40  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
62751

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
241

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceByAABAAAAAAAAAAAAAAAAAASAAAAA8QAAAAAAAAAABgAAAHAQAAAAADIjFUASwAYMAAAiEACBCAACDAIAgCBBIiBgIBIgIICKgkRGEAAhggACoiAcQgIAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-[1-(2-thienyl)cyclohexyl]piperidine

> <PUBCHEM_IUPAC_CAS_NAME>
1-(1-thiophen-2-ylcyclohexyl)piperidine

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-(1-thiophen-2-ylcyclohexyl)piperidine

> <PUBCHEM_IUPAC_NAME>
1-(1-thiophen-2-ylcyclohexyl)piperidine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-(1-thiophen-2-ylcyclohexyl)piperidine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-[1-(2-thienyl)cyclohexyl]piperidine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H23NS/c1-3-9-15(10-4-1,14-8-7-13-17-14)16-11-5-2-6-12-16/h7-8,13H,1-6,9-12H2

> <PUBCHEM_IUPAC_INCHIKEY>
JUZZEWSCNBCFRL-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.9

> <PUBCHEM_EXACT_MASS>
249.15512091

> <PUBCHEM_MOLECULAR_FORMULA>
C15H23NS

> <PUBCHEM_MOLECULAR_WEIGHT>
249.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CCC(CC1)(C2=CC=CS2)N3CCCCC3

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CCC(CC1)(C2=CC=CS2)N3CCCCC3

> <PUBCHEM_CACTVS_TPSA>
31.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
249.15512091

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
17

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
1  11  8
1  17  8
11  15  8
15  16  8
16  17  8

$$$$