N-cyclopenta-1,3-dien-1-ylmethanesulfonamide

C6H9NO2S — CID 22082527

IUPACN-cyclopenta-1,3-dien-1-ylmethanesulfonamide
SMILESCS(=O)(=O)NC1=CC=CC1
InChIInChI=1S/C6H9NO2S/c1-10(8,9)7-6-4-2-3-5-6/h2-4,7H,5H2,1H3
InChIKeyXCAPYVIRWQVFFV-UHFFFAOYSA-N
MW159.21 g/mol
LogP0.38
Rot. Bonds2

About N-cyclopenta-1,3-dien-1-ylmethanesulfonamide

N-cyclopenta-1,3-dien-1-ylmethanesulfonamide (PubChem CID 22082527) has the molecular formula C6H9NO2S and a molecular weight of 159.21 g/mol. Its IUPAC name is N-cyclopenta-1,3-dien-1-ylmethanesulfonamide.

Molecular Properties

Compound NameN-cyclopenta-1,3-dien-1-ylmethanesulfonamide
PubChem CID22082527
Molecular FormulaC6H9NO2S
Molecular Weight159.21 g/mol
Exact Mass159.04
IUPAC NameN-cyclopenta-1,3-dien-1-ylmethanesulfonamide
SMILESCS(=O)(=O)NC1=CC=CC1
InChIInChI=1S/C6H9NO2S/c1-10(8,9)7-6-4-2-3-5-6/h2-4,7H,5H2,1H3
InChIKeyXCAPYVIRWQVFFV-UHFFFAOYSA-N
XLogP0.38
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.21
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-cyclopenta-1,3-dien-1-ylmethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclopenta-1,3-dien-1-ylmethanesulfonamide?
The IUPAC name of N-cyclopenta-1,3-dien-1-ylmethanesulfonamide (CID 22082527) is N-cyclopenta-1,3-dien-1-ylmethanesulfonamide.
What is the SMILES notation for N-cyclopenta-1,3-dien-1-ylmethanesulfonamide?
The canonical SMILES for N-cyclopenta-1,3-dien-1-ylmethanesulfonamide is CS(=O)(=O)NC1=CC=CC1.
What is the InChIKey of N-cyclopenta-1,3-dien-1-ylmethanesulfonamide?
The InChIKey is XCAPYVIRWQVFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2S/c1-10(8,9)7-6-4-2-3-5-6/h2-4,7H,5H2,1H3.
What are the key properties of N-cyclopenta-1,3-dien-1-ylmethanesulfonamide?
N-cyclopenta-1,3-dien-1-ylmethanesulfonamide has a molecular weight of 159.21 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopenta-1,3-dien-1-ylmethanesulfonamide is sourced from PubChem (CID 22082527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).