N-ethyl-N-(3-methylbutyl)methanesulfonamide

C8H19NO2S — CID 20735601

IUPACN-ethyl-N-(3-methylbutyl)methanesulfonamide
SMILESCCN(CCC(C)C)S(C)(=O)=O
InChIInChI=1S/C8H19NO2S/c1-5-9(12(4,10)11)7-6-8(2)3/h8H,5-7H2,1-4H3
InChIKeyZTOKWWWIRNEJPA-UHFFFAOYSA-N
MW193.31 g/mol
LogP1.31
Rot. Bonds5

About N-ethyl-N-(3-methylbutyl)methanesulfonamide

N-ethyl-N-(3-methylbutyl)methanesulfonamide (PubChem CID 20735601) has the molecular formula C8H19NO2S and a molecular weight of 193.31 g/mol. Its IUPAC name is N-ethyl-N-(3-methylbutyl)methanesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-(3-methylbutyl)methanesulfonamide
PubChem CID20735601
Molecular FormulaC8H19NO2S
Molecular Weight193.31 g/mol
Exact Mass193.11
IUPAC NameN-ethyl-N-(3-methylbutyl)methanesulfonamide
SMILESCCN(CCC(C)C)S(C)(=O)=O
InChIInChI=1S/C8H19NO2S/c1-5-9(12(4,10)11)7-6-8(2)3/h8H,5-7H2,1-4H3
InChIKeyZTOKWWWIRNEJPA-UHFFFAOYSA-N
XLogP1.31
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-ethyl-N-(3-methylbutyl)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-ethyl-N-(3-methylbutyl)methanesulfonamide?
The IUPAC name of N-ethyl-N-(3-methylbutyl)methanesulfonamide (CID 20735601) is N-ethyl-N-(3-methylbutyl)methanesulfonamide.
What is the SMILES notation for N-ethyl-N-(3-methylbutyl)methanesulfonamide?
The canonical SMILES for N-ethyl-N-(3-methylbutyl)methanesulfonamide is CCN(CCC(C)C)S(C)(=O)=O.
What is the InChIKey of N-ethyl-N-(3-methylbutyl)methanesulfonamide?
The InChIKey is ZTOKWWWIRNEJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2S/c1-5-9(12(4,10)11)7-6-8(2)3/h8H,5-7H2,1-4H3.
What are the key properties of N-ethyl-N-(3-methylbutyl)methanesulfonamide?
N-ethyl-N-(3-methylbutyl)methanesulfonamide has a molecular weight of 193.31 g/mol, XLogP of 1.31, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-methylbutyl)methanesulfonamide is sourced from PubChem (CID 20735601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).