CID 28274239
PubChem CID
28274239
Structure
Molecular Formula
Status
Non-live
Molecular Weight
312.5 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
3,4-dimethyl-N-(3-piperazin-4-ium-1-ylpropyl)benzenesulfonamide
InChI=1S/C15H25N3O2S/c1-13-4-5-15(12-14(13)2)21(19,20)17-6-3-9-18-10-7-16-8-11-18/h4-5,12,16-17H,3,6-11H2,1-2H3/p+1
DDUMIHQNBIHKCG-UHFFFAOYSA-O
CC1=C(C=C(C=C1)S(=O)(=O)NCCCN2CC[NH2+]CC2)C
C15H26N3O2S+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
312.5 g/mol
Property Name
XLogP3-AA
Property Value
1.4
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Property Name
Rotatable Bond Count
Property Value
6
Property Name
Exact Mass
Property Value
312.17457325 g/mol
Property Name
Monoisotopic Mass
Property Value
312.17457325 g/mol
Property Name
Topological Polar Surface Area
Property Value
74.4 A^2
Property Name
Heavy Atom Count
Property Value
21
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
402
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