CID 26946089
PubChem CID
26946089
Structure
Molecular Formula
Status
Non-live
Molecular Weight
279.4 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
(3S)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3-methylpiperidine
InChI=1S/C15H21NO2S/c1-12-4-3-9-16(11-12)19(17,18)15-8-7-13-5-2-6-14(13)10-15/h7-8,10,12H,2-6,9,11H2,1H3/t12-/m0/s1
FJHQEXWFDHAVNX-LBPRGKRZSA-N
C[C@H]1CCCN(C1)S(=O)(=O)C2=CC3=C(CCC3)C=C2
C15H21NO2S
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
279.4 g/mol
Property Name
XLogP3-AA
Property Value
3.2
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
2
Property Name
Exact Mass
Property Value
279.12930009 g/mol
Property Name
Monoisotopic Mass
Property Value
279.12930009 g/mol
Property Name
Topological Polar Surface Area
Property Value
45.8 A^2
Property Name
Heavy Atom Count
Property Value
19
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
414
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
1
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
Old substance
Old substance
Old substance
CONTENTS