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

C12H19N3OS — CID 2997769

IUPACN-cyclohexyl-2-(1-methylimidazol-2-yl)sulfanylacetamide
SMILESCn1ccnc1SCC(=O)NC1CCCCC1
InChIInChI=1S/C12H19N3OS/c1-15-8-7-13-12(15)17-9-11(16)14-10-5-3-2-4-6-10/h7-8,10H,2-6,9H2,1H3,(H,14,16)
InChIKeyYZMHRWMPODPOIM-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.96
Rot. Bonds4

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

N-cyclohexyl-2-(1-methylimidazol-2-yl)sulfanylacetamide (PubChem CID 2997769) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is N-cyclohexyl-2-(1-methylimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(1-methylimidazol-2-yl)sulfanylacetamide
PubChem CID2997769
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC NameN-cyclohexyl-2-(1-methylimidazol-2-yl)sulfanylacetamide
SMILESCn1ccnc1SCC(=O)NC1CCCCC1
InChIInChI=1S/C12H19N3OS/c1-15-8-7-13-12(15)17-9-11(16)14-10-5-3-2-4-6-10/h7-8,10H,2-6,9H2,1H3,(H,14,16)
InChIKeyYZMHRWMPODPOIM-UHFFFAOYSA-N
XLogP1.96
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-cyclohexyl-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

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(1-methylimidazol-2-yl)sulfanylacetamide?
The IUPAC name of N-cyclohexyl-2-(1-methylimidazol-2-yl)sulfanylacetamide (CID 2997769) is N-cyclohexyl-2-(1-methylimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N-cyclohexyl-2-(1-methylimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for N-cyclohexyl-2-(1-methylimidazol-2-yl)sulfanylacetamide is Cn1ccnc1SCC(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-(1-methylimidazol-2-yl)sulfanylacetamide?
The InChIKey is YZMHRWMPODPOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-15-8-7-13-12(15)17-9-11(16)14-10-5-3-2-4-6-10/h7-8,10H,2-6,9H2,1H3,(H,14,16).
What are the key properties of N-cyclohexyl-2-(1-methylimidazol-2-yl)sulfanylacetamide?
N-cyclohexyl-2-(1-methylimidazol-2-yl)sulfanylacetamide has a molecular weight of 253.37 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(1-methylimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 2997769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).