CID 49609639
PubChem CID
49609639
Structure
Molecular Formula
Status
Non-live
Molecular Weight
313.4 g/mol
Dates
- Create:2010-11-26
Chemical Structure Depiction
N-[3-(4-ethylsulfonylpiperazin-1-yl)propyl]methanesulfonamide
InChI=1S/C10H23N3O4S2/c1-3-19(16,17)13-9-7-12(8-10-13)6-4-5-11-18(2,14)15/h11H,3-10H2,1-2H3
UXBFPDRLAMXRAH-UHFFFAOYSA-N
CCS(=O)(=O)N1CCN(CC1)CCCNS(=O)(=O)C
C10H23N3O4S2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
313.4 g/mol
Property Name
XLogP3-AA
Property Value
-0.8
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
7
Property Name
Rotatable Bond Count
Property Value
7
Property Name
Exact Mass
Property Value
313.11299857 g/mol
Property Name
Monoisotopic Mass
Property Value
313.11299857 g/mol
Property Name
Topological Polar Surface Area
Property Value
104 A^2
Property Name
Heavy Atom Count
Property Value
19
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
456
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