N-cyclohexyl-N-methyl-2-(1-methylimidazol-2-yl)sulfanylacetamide

C13H21N3OS — CID 39074209

IUPACN-cyclohexyl-N-methyl-2-(1-methylimidazol-2-yl)sulfanylacetamide
SMILESCN(C(=O)CSc1nccn1C)C1CCCCC1
InChIInChI=1S/C13H21N3OS/c1-15-9-8-14-13(15)18-10-12(17)16(2)11-6-4-3-5-7-11/h8-9,11H,3-7,10H2,1-2H3
InChIKeyIWYZXSKTKXZRGT-UHFFFAOYSA-N
MW267.40 g/mol
LogP2.30
Rot. Bonds4

About N-cyclohexyl-N-methyl-2-(1-methylimidazol-2-yl)sulfanylacetamide

N-cyclohexyl-N-methyl-2-(1-methylimidazol-2-yl)sulfanylacetamide (PubChem CID 39074209) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-2-(1-methylimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-2-(1-methylimidazol-2-yl)sulfanylacetamide
PubChem CID39074209
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC NameN-cyclohexyl-N-methyl-2-(1-methylimidazol-2-yl)sulfanylacetamide
SMILESCN(C(=O)CSc1nccn1C)C1CCCCC1
InChIInChI=1S/C13H21N3OS/c1-15-9-8-14-13(15)18-10-12(17)16(2)11-6-4-3-5-7-11/h8-9,11H,3-7,10H2,1-2H3
InChIKeyIWYZXSKTKXZRGT-UHFFFAOYSA-N
XLogP2.30
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-cyclohexyl-N-methyl-2-(1-methylimidazol-2-yl)sulfanylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopentyl-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 6460530
N,N-dicyclohexyl-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 2997942
N-(2,3-dimethylcyclohexyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide;hydrochloride
CID 6603260
N-(1-Cyanocyclohexyl)-2-((1-methyl-1H-imidazol-2-yl)thio)acetamide
CID 16255976
N-cyclohexyl-2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 2997769
N-cyclopropyl-2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 4178854
N-(2,3-dimethylcyclohexyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 2999050
1-(Azetidin-1-yl)-2-(1-propylimidazol-2-yl)sulfanylethanone
CID 40009299
1-(3-Imidazol-1-ylpiperidin-1-yl)-3-methylsulfanylpropan-1-one
CID 53595147
1-(3-Imidazol-1-ylpiperidin-1-yl)-2-propan-2-ylsulfonylethanone
CID 53620653
2-Methylsulfanyl-1-[3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]ethanone
CID 56779778
1-(2,6-Dimethylpiperidin-1-yl)-2-(1-methylimidazol-2-yl)sulfanylethanone
CID 4548905

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-2-(1-methylimidazol-2-yl)sulfanylacetamide?
The IUPAC name of N-cyclohexyl-N-methyl-2-(1-methylimidazol-2-yl)sulfanylacetamide (CID 39074209) is N-cyclohexyl-N-methyl-2-(1-methylimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-2-(1-methylimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for N-cyclohexyl-N-methyl-2-(1-methylimidazol-2-yl)sulfanylacetamide is CN(C(=O)CSc1nccn1C)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-methyl-2-(1-methylimidazol-2-yl)sulfanylacetamide?
The InChIKey is IWYZXSKTKXZRGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-15-9-8-14-13(15)18-10-12(17)16(2)11-6-4-3-5-7-11/h8-9,11H,3-7,10H2,1-2H3.
What are the key properties of N-cyclohexyl-N-methyl-2-(1-methylimidazol-2-yl)sulfanylacetamide?
N-cyclohexyl-N-methyl-2-(1-methylimidazol-2-yl)sulfanylacetamide has a molecular weight of 267.40 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-2-(1-methylimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 39074209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).