CID 29168936
PubChem CID
29168936
Structure
Molecular Formula
Status
Non-live
Molecular Weight
287.81 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
(3R,5S)-1-(3-chlorophenyl)sulfonyl-3,5-dimethylpiperidine
InChI=1S/C13H18ClNO2S/c1-10-6-11(2)9-15(8-10)18(16,17)13-5-3-4-12(14)7-13/h3-5,7,10-11H,6,8-9H2,1-2H3/t10-,11+
KSAKTYYNUPGTHN-PHIMTYICSA-N
C[C@@H]1C[C@@H](CN(C1)S(=O)(=O)C2=CC(=CC=C2)Cl)C
C13H18ClNO2S
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
287.81 g/mol
Property Name
XLogP3-AA
Property Value
3.4
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
287.0746777 g/mol
Property Name
Monoisotopic Mass
Property Value
287.0746777 g/mol
Property Name
Topological Polar Surface Area
Property Value
45.8 A^2
Property Name
Heavy Atom Count
Property Value
18
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
369
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
Old substance
CONTENTS