5-cyano-N-cyclohex-3-en-1-ylthiophene-2-sulfonamide

C11H12N2O2S2 — CID 106269472

IUPAC5-cyano-N-cyclohex-3-en-1-ylthiophene-2-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NC2CC=CCC2)s1
InChIInChI=1S/C11H12N2O2S2/c12-8-10-6-7-11(16-10)17(14,15)13-9-4-2-1-3-5-9/h1-2,6-7,9,13H,3-5H2
InChIKeyVLLJHJJVSFRZMM-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.01
Rot. Bonds3

About 5-cyano-N-cyclohex-3-en-1-ylthiophene-2-sulfonamide

5-cyano-N-cyclohex-3-en-1-ylthiophene-2-sulfonamide (PubChem CID 106269472) has the molecular formula C11H12N2O2S2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 5-cyano-N-cyclohex-3-en-1-ylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-cyano-N-cyclohex-3-en-1-ylthiophene-2-sulfonamide
PubChem CID106269472
Molecular FormulaC11H12N2O2S2
Molecular Weight268.36 g/mol
Exact Mass268.03
IUPAC Name5-cyano-N-cyclohex-3-en-1-ylthiophene-2-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NC2CC=CCC2)s1
InChIInChI=1S/C11H12N2O2S2/c12-8-10-6-7-11(16-10)17(14,15)13-9-4-2-1-3-5-9/h1-2,6-7,9,13H,3-5H2
InChIKeyVLLJHJJVSFRZMM-UHFFFAOYSA-N
XLogP2.01
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 5-cyano-N-cyclohex-3-en-1-ylthiophene-2-sulfonamide?
The IUPAC name of 5-cyano-N-cyclohex-3-en-1-ylthiophene-2-sulfonamide (CID 106269472) is 5-cyano-N-cyclohex-3-en-1-ylthiophene-2-sulfonamide.
What is the SMILES notation for 5-cyano-N-cyclohex-3-en-1-ylthiophene-2-sulfonamide?
The canonical SMILES for 5-cyano-N-cyclohex-3-en-1-ylthiophene-2-sulfonamide is N#Cc1ccc(S(=O)(=O)NC2CC=CCC2)s1.
What is the InChIKey of 5-cyano-N-cyclohex-3-en-1-ylthiophene-2-sulfonamide?
The InChIKey is VLLJHJJVSFRZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S2/c12-8-10-6-7-11(16-10)17(14,15)13-9-4-2-1-3-5-9/h1-2,6-7,9,13H,3-5H2.
What are the key properties of 5-cyano-N-cyclohex-3-en-1-ylthiophene-2-sulfonamide?
5-cyano-N-cyclohex-3-en-1-ylthiophene-2-sulfonamide has a molecular weight of 268.36 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-cyclohex-3-en-1-ylthiophene-2-sulfonamide is sourced from PubChem (CID 106269472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).