(E)-N-methylhept-4-ene-1-sulfonamide

C8H17NO2S — CID 135220044

IUPAC(E)-N-methylhept-4-ene-1-sulfonamide
SMILESCC/C=C/CCCS(=O)(=O)NC
InChIInChI=1S/C8H17NO2S/c1-3-4-5-6-7-8-12(10,11)9-2/h4-5,9H,3,6-8H2,1-2H3/b5-4+
InChIKeyGCEYWNOYDDDXGS-SNAWJCMRSA-N
MW191.30 g/mol
LogP1.28
Rot. Bonds6

About (E)-N-methylhept-4-ene-1-sulfonamide

(E)-N-methylhept-4-ene-1-sulfonamide (PubChem CID 135220044) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is (E)-N-methylhept-4-ene-1-sulfonamide.

Molecular Properties

Compound Name(E)-N-methylhept-4-ene-1-sulfonamide
PubChem CID135220044
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Name(E)-N-methylhept-4-ene-1-sulfonamide
SMILESCC/C=C/CCCS(=O)(=O)NC
InChIInChI=1S/C8H17NO2S/c1-3-4-5-6-7-8-12(10,11)9-2/h4-5,9H,3,6-8H2,1-2H3/b5-4+
InChIKeyGCEYWNOYDDDXGS-SNAWJCMRSA-N
XLogP1.28
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-methylhept-4-ene-1-sulfonamide?
The IUPAC name of (E)-N-methylhept-4-ene-1-sulfonamide (CID 135220044) is (E)-N-methylhept-4-ene-1-sulfonamide.
What is the SMILES notation for (E)-N-methylhept-4-ene-1-sulfonamide?
The canonical SMILES for (E)-N-methylhept-4-ene-1-sulfonamide is CC/C=C/CCCS(=O)(=O)NC.
What is the InChIKey of (E)-N-methylhept-4-ene-1-sulfonamide?
The InChIKey is GCEYWNOYDDDXGS-SNAWJCMRSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-3-4-5-6-7-8-12(10,11)9-2/h4-5,9H,3,6-8H2,1-2H3/b5-4+.
What are the key properties of (E)-N-methylhept-4-ene-1-sulfonamide?
(E)-N-methylhept-4-ene-1-sulfonamide has a molecular weight of 191.30 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methylhept-4-ene-1-sulfonamide is sourced from PubChem (CID 135220044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).