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CID 34121581

PubChem CID
34121581
Structure
CID 34121581_small.png
Molecular Formula
Status
Non-live
Molecular Weight
299.39 g/mol
Dates
  • Create:
    2009-05-29

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 34121581.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-(cyclopentylmethylsulfamoyl)-N,1-dimethylpyrrole-2-carboxamide

2.1.2 InChI

InChI=1S/C13H21N3O3S/c1-14-13(17)12-7-11(9-16(12)2)20(18,19)15-8-10-5-3-4-6-10/h7,9-10,15H,3-6,8H2,1-2H3,(H,14,17)

2.1.3 InChIKey

MQZLODWLYNAJNU-UHFFFAOYSA-N

2.1.4 SMILES

CNC(=O)C1=CC(=CN1C)S(=O)(=O)NCC2CCCC2

2.2 Molecular Formula

C13H21N3O3S

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
299.39 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
4
Property Name
Rotatable Bond Count
Property Value
5
Property Name
Exact Mass
Property Value
299.13036271 g/mol
Property Name
Monoisotopic Mass
Property Value
299.13036271 g/mol
Property Name
Topological Polar Surface Area
Property Value
88.6 A^2
Property Name
Heavy Atom Count
Property Value
20
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
440
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