N-[(1S)-cyclopent-2-en-1-yl]methanesulfonamide

C6H11NO2S — CID 14688665

IUPACN-[(1S)-cyclopent-2-en-1-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@@H]1C=CCC1
InChIInChI=1S/C6H11NO2S/c1-10(8,9)7-6-4-2-3-5-6/h2,4,6-7H,3,5H2,1H3/t6-/m1/s1
InChIKeyPWGQPDOZHHMLLO-ZCFIWIBFSA-N
MW161.23 g/mol
LogP0.25
Rot. Bonds2

About N-[(1S)-cyclopent-2-en-1-yl]methanesulfonamide

N-[(1S)-cyclopent-2-en-1-yl]methanesulfonamide (PubChem CID 14688665) has the molecular formula C6H11NO2S and a molecular weight of 161.23 g/mol. Its IUPAC name is N-[(1S)-cyclopent-2-en-1-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(1S)-cyclopent-2-en-1-yl]methanesulfonamide
PubChem CID14688665
Molecular FormulaC6H11NO2S
Molecular Weight161.23 g/mol
Exact Mass161.05
IUPAC NameN-[(1S)-cyclopent-2-en-1-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@@H]1C=CCC1
InChIInChI=1S/C6H11NO2S/c1-10(8,9)7-6-4-2-3-5-6/h2,4,6-7H,3,5H2,1H3/t6-/m1/s1
InChIKeyPWGQPDOZHHMLLO-ZCFIWIBFSA-N
XLogP0.25
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.23
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-cyclopent-2-en-1-yl]methanesulfonamide?
The IUPAC name of N-[(1S)-cyclopent-2-en-1-yl]methanesulfonamide (CID 14688665) is N-[(1S)-cyclopent-2-en-1-yl]methanesulfonamide.
What is the SMILES notation for N-[(1S)-cyclopent-2-en-1-yl]methanesulfonamide?
The canonical SMILES for N-[(1S)-cyclopent-2-en-1-yl]methanesulfonamide is CS(=O)(=O)N[C@@H]1C=CCC1.
What is the InChIKey of N-[(1S)-cyclopent-2-en-1-yl]methanesulfonamide?
The InChIKey is PWGQPDOZHHMLLO-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H11NO2S/c1-10(8,9)7-6-4-2-3-5-6/h2,4,6-7H,3,5H2,1H3/t6-/m1/s1.
What are the key properties of N-[(1S)-cyclopent-2-en-1-yl]methanesulfonamide?
N-[(1S)-cyclopent-2-en-1-yl]methanesulfonamide has a molecular weight of 161.23 g/mol, XLogP of 0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-cyclopent-2-en-1-yl]methanesulfonamide is sourced from PubChem (CID 14688665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).