N-(3-methyl-2-methylidenebutyl)methanesulfonamide

C7H15NO2S — CID 163937767

IUPACN-(3-methyl-2-methylidenebutyl)methanesulfonamide
SMILESC=C(CNS(C)(=O)=O)C(C)C
InChIInChI=1S/C7H15NO2S/c1-6(2)7(3)5-8-11(4,9)10/h6,8H,3,5H2,1-2,4H3
InChIKeyROGWWGZUWFWHEY-UHFFFAOYSA-N
MW177.27 g/mol
LogP0.75
Rot. Bonds4

About N-(3-methyl-2-methylidenebutyl)methanesulfonamide

N-(3-methyl-2-methylidenebutyl)methanesulfonamide (PubChem CID 163937767) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is N-(3-methyl-2-methylidenebutyl)methanesulfonamide.

Molecular Properties

Compound NameN-(3-methyl-2-methylidenebutyl)methanesulfonamide
PubChem CID163937767
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC NameN-(3-methyl-2-methylidenebutyl)methanesulfonamide
SMILESC=C(CNS(C)(=O)=O)C(C)C
InChIInChI=1S/C7H15NO2S/c1-6(2)7(3)5-8-11(4,9)10/h6,8H,3,5H2,1-2,4H3
InChIKeyROGWWGZUWFWHEY-UHFFFAOYSA-N
XLogP0.75
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 ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3-methyl-2-methylidenebutyl)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-methyl-2-methylidenebutyl)methanesulfonamide?
The IUPAC name of N-(3-methyl-2-methylidenebutyl)methanesulfonamide (CID 163937767) is N-(3-methyl-2-methylidenebutyl)methanesulfonamide.
What is the SMILES notation for N-(3-methyl-2-methylidenebutyl)methanesulfonamide?
The canonical SMILES for N-(3-methyl-2-methylidenebutyl)methanesulfonamide is C=C(CNS(C)(=O)=O)C(C)C.
What is the InChIKey of N-(3-methyl-2-methylidenebutyl)methanesulfonamide?
The InChIKey is ROGWWGZUWFWHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2S/c1-6(2)7(3)5-8-11(4,9)10/h6,8H,3,5H2,1-2,4H3.
What are the key properties of N-(3-methyl-2-methylidenebutyl)methanesulfonamide?
N-(3-methyl-2-methylidenebutyl)methanesulfonamide has a molecular weight of 177.27 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-methylidenebutyl)methanesulfonamide is sourced from PubChem (CID 163937767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).