CID 30063231
PubChem CID
30063231
Structure
Molecular Formula
Status
Non-live
Molecular Weight
285.34 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-1H-pyrrole-2-carboxylate
InChI=1S/C12H18N2O4S/c1-8-3-9(2)7-14(6-8)19(17,18)10-4-11(12(15)16)13-5-10/h4-5,8-9,13H,3,6-7H2,1-2H3,(H,15,16)/p-1/t8-,9+
ORYVBXOSXQFQCA-DTORHVGOSA-M
C[C@@H]1C[C@@H](CN(C1)S(=O)(=O)C2=CNC(=C2)C(=O)[O-])C
C12H17N2O4S-
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
285.34 g/mol
Property Name
XLogP3-AA
Property Value
2.1
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
5
Property Name
Rotatable Bond Count
Property Value
2
Property Name
Exact Mass
Property Value
285.09090320 g/mol
Property Name
Monoisotopic Mass
Property Value
285.09090320 g/mol
Property Name
Topological Polar Surface Area
Property Value
102 A^2
Property Name
Heavy Atom Count
Property Value
19
Property Name
Formal Charge
Property Value
-1
Property Name
Complexity
Property Value
430
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
2
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Property Name
Defined Bond Stereocenter Count
Property Value
0
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
1
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
CONTENTS