(1S)-cyclohex-3-ene-1-sulfonamide

C6H11NO2S — CID 97005175

IUPAC(1S)-cyclohex-3-ene-1-sulfonamide
SMILESNS(=O)(=O)[C@@H]1CC=CCC1
InChIInChI=1S/C6H11NO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-2,6H,3-5H2,(H2,7,8,9)/t6-/m1/s1
InChIKeyRFLIVPBDPCREEB-ZCFIWIBFSA-N
MW161.23 g/mol
LogP0.38
Rot. Bonds1

About (1S)-cyclohex-3-ene-1-sulfonamide

(1S)-cyclohex-3-ene-1-sulfonamide (PubChem CID 97005175) has the molecular formula C6H11NO2S and a molecular weight of 161.23 g/mol. Its IUPAC name is (1S)-cyclohex-3-ene-1-sulfonamide.

Molecular Properties

Compound Name(1S)-cyclohex-3-ene-1-sulfonamide
PubChem CID97005175
Molecular FormulaC6H11NO2S
Molecular Weight161.23 g/mol
Exact Mass161.05
IUPAC Name(1S)-cyclohex-3-ene-1-sulfonamide
SMILESNS(=O)(=O)[C@@H]1CC=CCC1
InChIInChI=1S/C6H11NO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-2,6H,3-5H2,(H2,7,8,9)/t6-/m1/s1
InChIKeyRFLIVPBDPCREEB-ZCFIWIBFSA-N
XLogP0.38
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.23
LogP ≤ 50.38
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 (1S)-cyclohex-3-ene-1-sulfonamide?
The IUPAC name of (1S)-cyclohex-3-ene-1-sulfonamide (CID 97005175) is (1S)-cyclohex-3-ene-1-sulfonamide.
What is the SMILES notation for (1S)-cyclohex-3-ene-1-sulfonamide?
The canonical SMILES for (1S)-cyclohex-3-ene-1-sulfonamide is NS(=O)(=O)[C@@H]1CC=CCC1.
What is the InChIKey of (1S)-cyclohex-3-ene-1-sulfonamide?
The InChIKey is RFLIVPBDPCREEB-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H11NO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-2,6H,3-5H2,(H2,7,8,9)/t6-/m1/s1.
What are the key properties of (1S)-cyclohex-3-ene-1-sulfonamide?
(1S)-cyclohex-3-ene-1-sulfonamide has a molecular weight of 161.23 g/mol, XLogP of 0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-cyclohex-3-ene-1-sulfonamide is sourced from PubChem (CID 97005175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).