CID 28273420
PubChem CID
28273420
Structure
Molecular Formula
Status
Non-live
Molecular Weight
276.42 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
1-ethylsulfonyl-4-(piperidin-1-ium-4-ylmethyl)piperazine
InChI=1S/C12H25N3O2S/c1-2-18(16,17)15-9-7-14(8-10-15)11-12-3-5-13-6-4-12/h12-13H,2-11H2,1H3/p+1
IDDZVYSUGUIDEK-UHFFFAOYSA-O
CCS(=O)(=O)N1CCN(CC1)CC2CC[NH2+]CC2
C12H26N3O2S+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
276.42 g/mol
Property Name
XLogP3-AA
Property Value
0
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
4
Property Name
Exact Mass
Property Value
276.17457325 g/mol
Property Name
Monoisotopic Mass
Property Value
276.17457325 g/mol
Property Name
Topological Polar Surface Area
Property Value
65.6 A^2
Property Name
Heavy Atom Count
Property Value
18
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
339
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