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CID 47367374

PubChem CID
47367374
Structure
CID 47367374_small.png
Molecular Formula
Status
Non-live
Molecular Weight
283.39 g/mol
Dates
  • Create:
    2010-11-26

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 47367374.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

N,2-dimethyl-2-(methylcarbamoylamino)-N-[(3-methylthiophen-2-yl)methyl]propanamide

2.1.2 InChI

InChI=1S/C13H21N3O2S/c1-9-6-7-19-10(9)8-16(5)11(17)13(2,3)15-12(18)14-4/h6-7H,8H2,1-5H3,(H2,14,15,18)

2.1.3 InChIKey

CVVVWWKATKUPKC-UHFFFAOYSA-N

2.1.4 SMILES

CC1=C(SC=C1)CN(C)C(=O)C(C)(C)NC(=O)NC

2.2 Molecular Formula

C13H21N3O2S

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
283.39 g/mol
Property Name
XLogP3-AA
Property Value
1.1
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
283.13544809 g/mol
Property Name
Monoisotopic Mass
Property Value
283.13544809 g/mol
Property Name
Topological Polar Surface Area
Property Value
89.7 A^2
Property Name
Heavy Atom Count
Property Value
19
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
347
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

5 Information Sources

CONTENTS