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CID 28715139

PubChem CID
28715139
Structure
CID 28715139_small.png
Molecular Formula
Status
Non-live
Molecular Weight
283.41 g/mol
Dates
  • Create:
    2009-05-28

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 28715139.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

[4-(cyclohexylsulfamoyl)phenyl]methyl-methylazanium

2.1.2 InChI

InChI=1S/C14H22N2O2S/c1-15-11-12-7-9-14(10-8-12)19(17,18)16-13-5-3-2-4-6-13/h7-10,13,15-16H,2-6,11H2,1H3/p+1

2.1.3 InChIKey

KXZMFHUWYPCESI-UHFFFAOYSA-O

2.1.4 SMILES

C[NH2+]CC1=CC=C(C=C1)S(=O)(=O)NC2CCCCC2

2.2 Molecular Formula

C14H23N2O2S+

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
283.41 g/mol
Property Name
XLogP3-AA
Property Value
2.1
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
5
Property Name
Exact Mass
Property Value
283.14802415 g/mol
Property Name
Monoisotopic Mass
Property Value
283.14802415 g/mol
Property Name
Topological Polar Surface Area
Property Value
71.2 A^2
Property Name
Heavy Atom Count
Property Value
19
Property Name
Formal Charge
Property Value
1
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
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

5 Information Sources

CONTENTS