CID 53457081
PubChem CID
53457081
Structure
Molecular Formula
Status
Non-live
Molecular Weight
295.4 g/mol
Dates
- Create:2011-10-30
Chemical Structure Depiction
2-(2,6-dimethylmorpholin-4-ium-4-yl)-N-(2-methylsulfanylphenyl)acetamide
InChI=1S/C15H22N2O2S/c1-11-8-17(9-12(2)19-11)10-15(18)16-13-6-4-5-7-14(13)20-3/h4-7,11-12H,8-10H2,1-3H3,(H,16,18)/p+1
OQTJZGNFFCWHKU-UHFFFAOYSA-O
CC1C[NH+](CC(O1)C)CC(=O)NC2=CC=CC=C2SC
C15H23N2O2S+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
295.4 g/mol
Property Name
XLogP3
Property Value
2.1
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
4
Property Name
Exact Mass
Property Value
295.14802415 g/mol
Property Name
Monoisotopic Mass
Property Value
295.14802415 g/mol
Property Name
Topological Polar Surface Area
Property Value
68.1 A^2
Property Name
Heavy Atom Count
Property Value
20
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
317
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
2
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