N-(3-ethenyl-4-methylhexyl)methanesulfonamide

C10H21NO2S — CID 123381785

IUPACN-(3-ethenyl-4-methylhexyl)methanesulfonamide
SMILESC=CC(CCNS(C)(=O)=O)C(C)CC
InChIInChI=1S/C10H21NO2S/c1-5-9(3)10(6-2)7-8-11-14(4,12)13/h6,9-11H,2,5,7-8H2,1,3-4H3
InChIKeyFANFAXVOECIOLD-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.77
Rot. Bonds7

About N-(3-ethenyl-4-methylhexyl)methanesulfonamide

N-(3-ethenyl-4-methylhexyl)methanesulfonamide (PubChem CID 123381785) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is N-(3-ethenyl-4-methylhexyl)methanesulfonamide.

Molecular Properties

Compound NameN-(3-ethenyl-4-methylhexyl)methanesulfonamide
PubChem CID123381785
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC NameN-(3-ethenyl-4-methylhexyl)methanesulfonamide
SMILESC=CC(CCNS(C)(=O)=O)C(C)CC
InChIInChI=1S/C10H21NO2S/c1-5-9(3)10(6-2)7-8-11-14(4,12)13/h6,9-11H,2,5,7-8H2,1,3-4H3
InChIKeyFANFAXVOECIOLD-UHFFFAOYSA-N
XLogP1.77
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3-ethenyl-4-methylhexyl)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-ethenyl-4-methylhexyl)methanesulfonamide?
The IUPAC name of N-(3-ethenyl-4-methylhexyl)methanesulfonamide (CID 123381785) is N-(3-ethenyl-4-methylhexyl)methanesulfonamide.
What is the SMILES notation for N-(3-ethenyl-4-methylhexyl)methanesulfonamide?
The canonical SMILES for N-(3-ethenyl-4-methylhexyl)methanesulfonamide is C=CC(CCNS(C)(=O)=O)C(C)CC.
What is the InChIKey of N-(3-ethenyl-4-methylhexyl)methanesulfonamide?
The InChIKey is FANFAXVOECIOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-5-9(3)10(6-2)7-8-11-14(4,12)13/h6,9-11H,2,5,7-8H2,1,3-4H3.
What are the key properties of N-(3-ethenyl-4-methylhexyl)methanesulfonamide?
N-(3-ethenyl-4-methylhexyl)methanesulfonamide has a molecular weight of 219.35 g/mol, XLogP of 1.77, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethenyl-4-methylhexyl)methanesulfonamide is sourced from PubChem (CID 123381785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).