N-ethyl-N-hexylmethanesulfonamide

C9H21NO2S — CID 91715472

IUPACN-ethyl-N-hexylmethanesulfonamide
SMILESCCCCCCN(CC)S(C)(=O)=O
InChIInChI=1S/C9H21NO2S/c1-4-6-7-8-9-10(5-2)13(3,11)12/h4-9H2,1-3H3
InChIKeyZJINUAVGCLHLEA-UHFFFAOYSA-N
MW207.34 g/mol
LogP1.85
Rot. Bonds7

About N-ethyl-N-hexylmethanesulfonamide

N-ethyl-N-hexylmethanesulfonamide (PubChem CID 91715472) has the molecular formula C9H21NO2S and a molecular weight of 207.34 g/mol. Its IUPAC name is N-ethyl-N-hexylmethanesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-hexylmethanesulfonamide
PubChem CID91715472
Molecular FormulaC9H21NO2S
Molecular Weight207.34 g/mol
Exact Mass207.13
IUPAC NameN-ethyl-N-hexylmethanesulfonamide
SMILESCCCCCCN(CC)S(C)(=O)=O
InChIInChI=1S/C9H21NO2S/c1-4-6-7-8-9-10(5-2)13(3,11)12/h4-9H2,1-3H3
InChIKeyZJINUAVGCLHLEA-UHFFFAOYSA-N
XLogP1.85
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-ethyl-N-hexylmethanesulfonamide 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-hexylmethanesulfonamide?
The IUPAC name of N-ethyl-N-hexylmethanesulfonamide (CID 91715472) is N-ethyl-N-hexylmethanesulfonamide.
What is the SMILES notation for N-ethyl-N-hexylmethanesulfonamide?
The canonical SMILES for N-ethyl-N-hexylmethanesulfonamide is CCCCCCN(CC)S(C)(=O)=O.
What is the InChIKey of N-ethyl-N-hexylmethanesulfonamide?
The InChIKey is ZJINUAVGCLHLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2S/c1-4-6-7-8-9-10(5-2)13(3,11)12/h4-9H2,1-3H3.
What are the key properties of N-ethyl-N-hexylmethanesulfonamide?
N-ethyl-N-hexylmethanesulfonamide has a molecular weight of 207.34 g/mol, XLogP of 1.85, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-hexylmethanesulfonamide is sourced from PubChem (CID 91715472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).