CID 28125409
PubChem CID
28125409
Structure
Molecular Formula
Status
Non-live
Molecular Weight
179.26 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
2-pyrrolidin-1-ylsulfonylethylazanium
InChI=1S/C6H14N2O2S/c7-3-6-11(9,10)8-4-1-2-5-8/h1-7H2/p+1
JRFULQLOOJLLNB-UHFFFAOYSA-O
C1CCN(C1)S(=O)(=O)CC[NH3+]
C6H15N2O2S+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
179.26 g/mol
Property Name
XLogP3-AA
Property Value
-0.9
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
3
Property Name
Exact Mass
Property Value
179.08542390 g/mol
Property Name
Monoisotopic Mass
Property Value
179.08542390 g/mol
Property Name
Topological Polar Surface Area
Property Value
73.4 A^2
Property Name
Heavy Atom Count
Property Value
11
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
201
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
Old substance
Old substance
Old substance
CONTENTS