N-methylpent-4-ene-1-sulfonamide

C6H13NO2S — CID 87404975

IUPACN-methylpent-4-ene-1-sulfonamide
SMILESC=CCCCS(=O)(=O)NC
InChIInChI=1S/C6H13NO2S/c1-3-4-5-6-10(8,9)7-2/h3,7H,1,4-6H2,2H3
InChIKeyHXMUPFMBZBOIPZ-UHFFFAOYSA-N
MW163.24 g/mol
LogP0.50
Rot. Bonds5

About N-methylpent-4-ene-1-sulfonamide

N-methylpent-4-ene-1-sulfonamide (PubChem CID 87404975) has the molecular formula C6H13NO2S and a molecular weight of 163.24 g/mol. Its IUPAC name is N-methylpent-4-ene-1-sulfonamide.

Molecular Properties

Compound NameN-methylpent-4-ene-1-sulfonamide
PubChem CID87404975
Molecular FormulaC6H13NO2S
Molecular Weight163.24 g/mol
Exact Mass163.07
IUPAC NameN-methylpent-4-ene-1-sulfonamide
SMILESC=CCCCS(=O)(=O)NC
InChIInChI=1S/C6H13NO2S/c1-3-4-5-6-10(8,9)7-2/h3,7H,1,4-6H2,2H3
InChIKeyHXMUPFMBZBOIPZ-UHFFFAOYSA-N
XLogP0.50
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 50.50
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'}

Analyze N-methylpent-4-ene-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methylpent-4-ene-1-sulfonamide?
The IUPAC name of N-methylpent-4-ene-1-sulfonamide (CID 87404975) is N-methylpent-4-ene-1-sulfonamide.
What is the SMILES notation for N-methylpent-4-ene-1-sulfonamide?
The canonical SMILES for N-methylpent-4-ene-1-sulfonamide is C=CCCCS(=O)(=O)NC.
What is the InChIKey of N-methylpent-4-ene-1-sulfonamide?
The InChIKey is HXMUPFMBZBOIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2S/c1-3-4-5-6-10(8,9)7-2/h3,7H,1,4-6H2,2H3.
What are the key properties of N-methylpent-4-ene-1-sulfonamide?
N-methylpent-4-ene-1-sulfonamide has a molecular weight of 163.24 g/mol, XLogP of 0.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylpent-4-ene-1-sulfonamide is sourced from PubChem (CID 87404975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).