CID 28715981
PubChem CID
28715981
Structure
Molecular Formula
Status
Non-live
Molecular Weight
285.43 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
[4-(butylsulfamoyl)phenyl]methyl-propan-2-ylazanium
InChI=1S/C14H24N2O2S/c1-4-5-10-16-19(17,18)14-8-6-13(7-9-14)11-15-12(2)3/h6-9,12,15-16H,4-5,10-11H2,1-3H3/p+1
IIVLIOLWFLERTH-UHFFFAOYSA-O
CCCCNS(=O)(=O)C1=CC=C(C=C1)C[NH2+]C(C)C
C14H25N2O2S+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
285.43 g/mol
Property Name
XLogP3-AA
Property Value
2.3
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
8
Property Name
Exact Mass
Property Value
285.16367422 g/mol
Property Name
Monoisotopic Mass
Property Value
285.16367422 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
328
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
Old substance
CONTENTS