CID 47173868
PubChem CID
47173868
Structure
Molecular Formula
Status
Non-live
Molecular Weight
266.36 g/mol
Dates
- Create:2010-11-26
Chemical Structure Depiction
N-[2-[methyl(1-thiophen-2-ylethyl)amino]-2-oxoethyl]cyclopropanecarboxamide
InChI=1S/C13H18N2O2S/c1-9(11-4-3-7-18-11)15(2)12(16)8-14-13(17)10-5-6-10/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,14,17)
VWVFMMJSAQICSO-UHFFFAOYSA-N
CC(C1=CC=CS1)N(C)C(=O)CNC(=O)C2CC2
C13H18N2O2S
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
266.36 g/mol
Property Name
XLogP3-AA
Property Value
1.1
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
5
Property Name
Exact Mass
Property Value
266.10889899 g/mol
Property Name
Monoisotopic Mass
Property Value
266.10889899 g/mol
Property Name
Topological Polar Surface Area
Property Value
77.7 A^2
Property Name
Heavy Atom Count
Property Value
18
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
331
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
1
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