N-(3-methylbut-2-enyl)methanesulfonamide

C6H13NO2S — CID 103526959

IUPACN-(3-methylbut-2-enyl)methanesulfonamide
SMILESCC(C)=CCNS(C)(=O)=O
InChIInChI=1S/C6H13NO2S/c1-6(2)4-5-7-10(3,8)9/h4,7H,5H2,1-3H3
InChIKeyAXUXSGZRJWWIEL-UHFFFAOYSA-N
MW163.24 g/mol
LogP0.50
Rot. Bonds3

About N-(3-methylbut-2-enyl)methanesulfonamide

N-(3-methylbut-2-enyl)methanesulfonamide (PubChem CID 103526959) has the molecular formula C6H13NO2S and a molecular weight of 163.24 g/mol. Its IUPAC name is N-(3-methylbut-2-enyl)methanesulfonamide.

Molecular Properties

Compound NameN-(3-methylbut-2-enyl)methanesulfonamide
PubChem CID103526959
Molecular FormulaC6H13NO2S
Molecular Weight163.24 g/mol
Exact Mass163.07
IUPAC NameN-(3-methylbut-2-enyl)methanesulfonamide
SMILESCC(C)=CCNS(C)(=O)=O
InChIInChI=1S/C6H13NO2S/c1-6(2)4-5-7-10(3,8)9/h4,7H,5H2,1-3H3
InChIKeyAXUXSGZRJWWIEL-UHFFFAOYSA-N
XLogP0.50
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-(3-methylbut-2-enyl)methanesulfonamide 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-(3-methylbut-2-enyl)methanesulfonamide?
The IUPAC name of N-(3-methylbut-2-enyl)methanesulfonamide (CID 103526959) is N-(3-methylbut-2-enyl)methanesulfonamide.
What is the SMILES notation for N-(3-methylbut-2-enyl)methanesulfonamide?
The canonical SMILES for N-(3-methylbut-2-enyl)methanesulfonamide is CC(C)=CCNS(C)(=O)=O.
What is the InChIKey of N-(3-methylbut-2-enyl)methanesulfonamide?
The InChIKey is AXUXSGZRJWWIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2S/c1-6(2)4-5-7-10(3,8)9/h4,7H,5H2,1-3H3.
What are the key properties of N-(3-methylbut-2-enyl)methanesulfonamide?
N-(3-methylbut-2-enyl)methanesulfonamide has a molecular weight of 163.24 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbut-2-enyl)methanesulfonamide is sourced from PubChem (CID 103526959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).