CID 47143197
PubChem CID
47143197
Structure
Molecular Formula
Status
Non-live
Molecular Weight
270.35 g/mol
Dates
- Create:2010-11-26
Chemical Structure Depiction
1,5-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrrole-2-carboxamide
InChI=1S/C12H18N2O3S/c1-9-4-5-10(14(9)3)11(15)13-12(2)6-7-18(16,17)8-12/h4-5H,6-8H2,1-3H3,(H,13,15)
MTAZEHGNPUJJMF-UHFFFAOYSA-N
CC1=CC=C(N1C)C(=O)NC2(CCS(=O)(=O)C2)C
C12H18N2O3S
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
270.35 g/mol
Property Name
XLogP3-AA
Property Value
0.4
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
2
Property Name
Exact Mass
Property Value
270.10381361 g/mol
Property Name
Monoisotopic Mass
Property Value
270.10381361 g/mol
Property Name
Topological Polar Surface Area
Property Value
76.6 A^2
Property Name
Heavy Atom Count
Property Value
18
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
443
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