hex-4-ene-1-sulfonamide

C6H13NO2S — CID 123668193

IUPAChex-4-ene-1-sulfonamide
SMILESCC=CCCCS(N)(=O)=O
InChIInChI=1S/C6H13NO2S/c1-2-3-4-5-6-10(7,8)9/h2-3H,4-6H2,1H3,(H2,7,8,9)
InChIKeyXQDRUUGCVJTNLL-UHFFFAOYSA-N
MW163.24 g/mol
LogP0.63
Rot. Bonds4

About hex-4-ene-1-sulfonamide

hex-4-ene-1-sulfonamide (PubChem CID 123668193) has the molecular formula C6H13NO2S and a molecular weight of 163.24 g/mol. Its IUPAC name is hex-4-ene-1-sulfonamide.

Molecular Properties

Compound Namehex-4-ene-1-sulfonamide
PubChem CID123668193
Molecular FormulaC6H13NO2S
Molecular Weight163.24 g/mol
Exact Mass163.07
IUPAC Namehex-4-ene-1-sulfonamide
SMILESCC=CCCCS(N)(=O)=O
InChIInChI=1S/C6H13NO2S/c1-2-3-4-5-6-10(7,8)9/h2-3H,4-6H2,1H3,(H2,7,8,9)
InChIKeyXQDRUUGCVJTNLL-UHFFFAOYSA-N
XLogP0.63
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 50.63
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 hex-4-ene-1-sulfonamide?
The IUPAC name of hex-4-ene-1-sulfonamide (CID 123668193) is hex-4-ene-1-sulfonamide.
What is the SMILES notation for hex-4-ene-1-sulfonamide?
The canonical SMILES for hex-4-ene-1-sulfonamide is CC=CCCCS(N)(=O)=O.
What is the InChIKey of hex-4-ene-1-sulfonamide?
The InChIKey is XQDRUUGCVJTNLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2S/c1-2-3-4-5-6-10(7,8)9/h2-3H,4-6H2,1H3,(H2,7,8,9).
What are the key properties of hex-4-ene-1-sulfonamide?
hex-4-ene-1-sulfonamide has a molecular weight of 163.24 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hex-4-ene-1-sulfonamide is sourced from PubChem (CID 123668193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).