CID 42149574
PubChem CID
42149574
Structure
Molecular Formula
Status
Non-live
Molecular Weight
207.32 g/mol
Dates
- Create:2009-05-30
Chemical Structure Depiction
2-(4-methylpiperidin-1-yl)sulfonylethylazanium
InChI=1S/C8H18N2O2S/c1-8-2-5-10(6-3-8)13(11,12)7-4-9/h8H,2-7,9H2,1H3/p+1
NKNUNVASIQRYJZ-UHFFFAOYSA-O
CC1CCN(CC1)S(=O)(=O)CC[NH3+]
C8H19N2O2S+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
207.32 g/mol
Property Name
XLogP3-AA
Property Value
-0.1
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
207.11672403 g/mol
Property Name
Monoisotopic Mass
Property Value
207.11672403 g/mol
Property Name
Topological Polar Surface Area
Property Value
73.4 A^2
Property Name
Heavy Atom Count
Property Value
13
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
237
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