CID 47109778
PubChem CID
47109778
Structure
Molecular Formula
Status
Non-live
Molecular Weight
273.4 g/mol
Dates
- Create:2010-11-26
Chemical Structure Depiction
5-methyl-N-(2-methylcyclohexyl)thiophene-2-sulfonamide
InChI=1S/C12H19NO2S2/c1-9-5-3-4-6-11(9)13-17(14,15)12-8-7-10(2)16-12/h7-9,11,13H,3-6H2,1-2H3
RKOVOJDUDKYXJD-UHFFFAOYSA-N
CC1CCCCC1NS(=O)(=O)C2=CC=C(S2)C
C12H19NO2S2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
273.4 g/mol
Property Name
XLogP3-AA
Property Value
3.5
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Property Name
Rotatable Bond Count
Property Value
3
Property Name
Exact Mass
Property Value
273.08572120 g/mol
Property Name
Monoisotopic Mass
Property Value
273.08572120 g/mol
Property Name
Topological Polar Surface Area
Property Value
82.8 A^2
Property Name
Heavy Atom Count
Property Value
17
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
350
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
0
Property Name
Undefined Atom Stereocenter Count
Property Value
2
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