N-cyclohexyl-2-(2-hydroxyethylsulfanyl)-N-methylacetamide

C11H21NO2S — CID 43392416

IUPACN-cyclohexyl-2-(2-hydroxyethylsulfanyl)-N-methylacetamide
SMILESCN(C(=O)CSCCO)C1CCCCC1
InChIInChI=1S/C11H21NO2S/c1-12(10-5-3-2-4-6-10)11(14)9-15-8-7-13/h10,13H,2-9H2,1H3
InChIKeyCTQZFNJSSJTYBU-UHFFFAOYSA-N
MW231.36 g/mol
LogP1.50
Rot. Bonds5

About N-cyclohexyl-2-(2-hydroxyethylsulfanyl)-N-methylacetamide

N-cyclohexyl-2-(2-hydroxyethylsulfanyl)-N-methylacetamide (PubChem CID 43392416) has the molecular formula C11H21NO2S and a molecular weight of 231.36 g/mol. Its IUPAC name is N-cyclohexyl-2-(2-hydroxyethylsulfanyl)-N-methylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(2-hydroxyethylsulfanyl)-N-methylacetamide
PubChem CID43392416
Molecular FormulaC11H21NO2S
Molecular Weight231.36 g/mol
Exact Mass231.13
IUPAC NameN-cyclohexyl-2-(2-hydroxyethylsulfanyl)-N-methylacetamide
SMILESCN(C(=O)CSCCO)C1CCCCC1
InChIInChI=1S/C11H21NO2S/c1-12(10-5-3-2-4-6-10)11(14)9-15-8-7-13/h10,13H,2-9H2,1H3
InChIKeyCTQZFNJSSJTYBU-UHFFFAOYSA-N
XLogP1.50
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-cyclohexyl-2-(2-hydroxyethylsulfanyl)-N-methylacetamide 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-cyclohexyl-2-(2-hydroxyethylsulfanyl)-N-methylacetamide?
The IUPAC name of N-cyclohexyl-2-(2-hydroxyethylsulfanyl)-N-methylacetamide (CID 43392416) is N-cyclohexyl-2-(2-hydroxyethylsulfanyl)-N-methylacetamide.
What is the SMILES notation for N-cyclohexyl-2-(2-hydroxyethylsulfanyl)-N-methylacetamide?
The canonical SMILES for N-cyclohexyl-2-(2-hydroxyethylsulfanyl)-N-methylacetamide is CN(C(=O)CSCCO)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-(2-hydroxyethylsulfanyl)-N-methylacetamide?
The InChIKey is CTQZFNJSSJTYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2S/c1-12(10-5-3-2-4-6-10)11(14)9-15-8-7-13/h10,13H,2-9H2,1H3.
What are the key properties of N-cyclohexyl-2-(2-hydroxyethylsulfanyl)-N-methylacetamide?
N-cyclohexyl-2-(2-hydroxyethylsulfanyl)-N-methylacetamide has a molecular weight of 231.36 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(2-hydroxyethylsulfanyl)-N-methylacetamide is sourced from PubChem (CID 43392416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).