(Z)-N-hexyl-5-hydroxy-N-sulfanylpent-3-enamide

C11H21NO2S — CID 129054129

IUPAC(Z)-N-hexyl-5-hydroxy-N-sulfanylpent-3-enamide
SMILESCCCCCCN(S)C(=O)C/C=C\CO
InChIInChI=1S/C11H21NO2S/c1-2-3-4-6-9-12(15)11(14)8-5-7-10-13/h5,7,13,15H,2-4,6,8-10H2,1H3/b7-5-
InChIKeyWKBQZLFIPGRJJF-ALCCZGGFSA-N
MW231.36 g/mol
LogP2.18
Rot. Bonds8

About (Z)-N-hexyl-5-hydroxy-N-sulfanylpent-3-enamide

(Z)-N-hexyl-5-hydroxy-N-sulfanylpent-3-enamide (PubChem CID 129054129) has the molecular formula C11H21NO2S and a molecular weight of 231.36 g/mol. Its IUPAC name is (Z)-N-hexyl-5-hydroxy-N-sulfanylpent-3-enamide.

Molecular Properties

Compound Name(Z)-N-hexyl-5-hydroxy-N-sulfanylpent-3-enamide
PubChem CID129054129
Molecular FormulaC11H21NO2S
Molecular Weight231.36 g/mol
Exact Mass231.13
IUPAC Name(Z)-N-hexyl-5-hydroxy-N-sulfanylpent-3-enamide
SMILESCCCCCCN(S)C(=O)C/C=C\CO
InChIInChI=1S/C11H21NO2S/c1-2-3-4-6-9-12(15)11(14)8-5-7-10-13/h5,7,13,15H,2-4,6,8-10H2,1H3/b7-5-
InChIKeyWKBQZLFIPGRJJF-ALCCZGGFSA-N
XLogP2.18
TPSA40.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-hexyl-5-hydroxy-N-sulfanylpent-3-enamide?
The IUPAC name of (Z)-N-hexyl-5-hydroxy-N-sulfanylpent-3-enamide (CID 129054129) is (Z)-N-hexyl-5-hydroxy-N-sulfanylpent-3-enamide.
What is the SMILES notation for (Z)-N-hexyl-5-hydroxy-N-sulfanylpent-3-enamide?
The canonical SMILES for (Z)-N-hexyl-5-hydroxy-N-sulfanylpent-3-enamide is CCCCCCN(S)C(=O)C/C=C\CO.
What is the InChIKey of (Z)-N-hexyl-5-hydroxy-N-sulfanylpent-3-enamide?
The InChIKey is WKBQZLFIPGRJJF-ALCCZGGFSA-N. The full InChI is InChI=1S/C11H21NO2S/c1-2-3-4-6-9-12(15)11(14)8-5-7-10-13/h5,7,13,15H,2-4,6,8-10H2,1H3/b7-5-.
What are the key properties of (Z)-N-hexyl-5-hydroxy-N-sulfanylpent-3-enamide?
(Z)-N-hexyl-5-hydroxy-N-sulfanylpent-3-enamide has a molecular weight of 231.36 g/mol, XLogP of 2.18, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-hexyl-5-hydroxy-N-sulfanylpent-3-enamide is sourced from PubChem (CID 129054129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).