N-(4-methylpent-3-enyl)methanesulfonamide

C7H15NO2S — CID 131216210

IUPACN-(4-methylpent-3-enyl)methanesulfonamide
SMILESCC(C)=CCCNS(C)(=O)=O
InChIInChI=1S/C7H15NO2S/c1-7(2)5-4-6-8-11(3,9)10/h5,8H,4,6H2,1-3H3
InChIKeyYELWMVVGIBUQEM-UHFFFAOYSA-N
MW177.27 g/mol
LogP0.89
Rot. Bonds4

About N-(4-methylpent-3-enyl)methanesulfonamide

N-(4-methylpent-3-enyl)methanesulfonamide (PubChem CID 131216210) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is N-(4-methylpent-3-enyl)methanesulfonamide.

Molecular Properties

Compound NameN-(4-methylpent-3-enyl)methanesulfonamide
PubChem CID131216210
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC NameN-(4-methylpent-3-enyl)methanesulfonamide
SMILESCC(C)=CCCNS(C)(=O)=O
InChIInChI=1S/C7H15NO2S/c1-7(2)5-4-6-8-11(3,9)10/h5,8H,4,6H2,1-3H3
InChIKeyYELWMVVGIBUQEM-UHFFFAOYSA-N
XLogP0.89
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 50.89
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 N-(4-methylpent-3-enyl)methanesulfonamide?
The IUPAC name of N-(4-methylpent-3-enyl)methanesulfonamide (CID 131216210) is N-(4-methylpent-3-enyl)methanesulfonamide.
What is the SMILES notation for N-(4-methylpent-3-enyl)methanesulfonamide?
The canonical SMILES for N-(4-methylpent-3-enyl)methanesulfonamide is CC(C)=CCCNS(C)(=O)=O.
What is the InChIKey of N-(4-methylpent-3-enyl)methanesulfonamide?
The InChIKey is YELWMVVGIBUQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2S/c1-7(2)5-4-6-8-11(3,9)10/h5,8H,4,6H2,1-3H3.
What are the key properties of N-(4-methylpent-3-enyl)methanesulfonamide?
N-(4-methylpent-3-enyl)methanesulfonamide has a molecular weight of 177.27 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpent-3-enyl)methanesulfonamide is sourced from PubChem (CID 131216210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).