(Z)-N-methylhex-3-ene-1-sulfonamide

C7H15NO2S — CID 135220046

IUPAC(Z)-N-methylhex-3-ene-1-sulfonamide
SMILESCC/C=C\CCS(=O)(=O)NC
InChIInChI=1S/C7H15NO2S/c1-3-4-5-6-7-11(9,10)8-2/h4-5,8H,3,6-7H2,1-2H3/b5-4-
InChIKeyATPBZBJPJOVBPT-PLNGDYQASA-N
MW177.27 g/mol
LogP0.89
Rot. Bonds5

About (Z)-N-methylhex-3-ene-1-sulfonamide

(Z)-N-methylhex-3-ene-1-sulfonamide (PubChem CID 135220046) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is (Z)-N-methylhex-3-ene-1-sulfonamide.

Molecular Properties

Compound Name(Z)-N-methylhex-3-ene-1-sulfonamide
PubChem CID135220046
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC Name(Z)-N-methylhex-3-ene-1-sulfonamide
SMILESCC/C=C\CCS(=O)(=O)NC
InChIInChI=1S/C7H15NO2S/c1-3-4-5-6-7-11(9,10)8-2/h4-5,8H,3,6-7H2,1-2H3/b5-4-
InChIKeyATPBZBJPJOVBPT-PLNGDYQASA-N
XLogP0.89
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 50.89
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 (Z)-N-methylhex-3-ene-1-sulfonamide?
The IUPAC name of (Z)-N-methylhex-3-ene-1-sulfonamide (CID 135220046) is (Z)-N-methylhex-3-ene-1-sulfonamide.
What is the SMILES notation for (Z)-N-methylhex-3-ene-1-sulfonamide?
The canonical SMILES for (Z)-N-methylhex-3-ene-1-sulfonamide is CC/C=C\CCS(=O)(=O)NC.
What is the InChIKey of (Z)-N-methylhex-3-ene-1-sulfonamide?
The InChIKey is ATPBZBJPJOVBPT-PLNGDYQASA-N. The full InChI is InChI=1S/C7H15NO2S/c1-3-4-5-6-7-11(9,10)8-2/h4-5,8H,3,6-7H2,1-2H3/b5-4-.
What are the key properties of (Z)-N-methylhex-3-ene-1-sulfonamide?
(Z)-N-methylhex-3-ene-1-sulfonamide has a molecular weight of 177.27 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methylhex-3-ene-1-sulfonamide is sourced from PubChem (CID 135220046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).