cyclohex-3-ene-1-sulfonamide

C6H11NO2S — CID 71757353

IUPACcyclohex-3-ene-1-sulfonamide
SMILESNS(=O)(=O)C1CC=CCC1
InChIInChI=1S/C6H11NO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-2,6H,3-5H2,(H2,7,8,9)
InChIKeyRFLIVPBDPCREEB-UHFFFAOYSA-N
MW161.23 g/mol
LogP0.38
Rot. Bonds1

About cyclohex-3-ene-1-sulfonamide

cyclohex-3-ene-1-sulfonamide (PubChem CID 71757353) has the molecular formula C6H11NO2S and a molecular weight of 161.23 g/mol. Its IUPAC name is cyclohex-3-ene-1-sulfonamide.

Molecular Properties

Compound Namecyclohex-3-ene-1-sulfonamide
PubChem CID71757353
Molecular FormulaC6H11NO2S
Molecular Weight161.23 g/mol
Exact Mass161.05
IUPAC Namecyclohex-3-ene-1-sulfonamide
SMILESNS(=O)(=O)C1CC=CCC1
InChIInChI=1S/C6H11NO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-2,6H,3-5H2,(H2,7,8,9)
InChIKeyRFLIVPBDPCREEB-UHFFFAOYSA-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 cyclohex-3-ene-1-sulfonamide?
The IUPAC name of cyclohex-3-ene-1-sulfonamide (CID 71757353) is cyclohex-3-ene-1-sulfonamide.
What is the SMILES notation for cyclohex-3-ene-1-sulfonamide?
The canonical SMILES for cyclohex-3-ene-1-sulfonamide is NS(=O)(=O)C1CC=CCC1.
What is the InChIKey of cyclohex-3-ene-1-sulfonamide?
The InChIKey is RFLIVPBDPCREEB-UHFFFAOYSA-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).
What are the key properties of cyclohex-3-ene-1-sulfonamide?
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 cyclohex-3-ene-1-sulfonamide is sourced from PubChem (CID 71757353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).