N-(2,3-dimethylcyclohexyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide;hydrochloride

C14H24ClN3OS — CID 6603260

IUPACN-(2,3-dimethylcyclohexyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide;hydrochloride
SMILESCC1CCCC(NC(=O)CSc2nccn2C)C1C.Cl
InChIInChI=1S/C14H23N3OS.ClH/c1-10-5-4-6-12(11(10)2)16-13(18)9-19-14-15-7-8-17(14)3;/h7-8,10-12H,4-6,9H2,1-3H3,(H,16,18);1H
InChIKeyYFJYRAUCYYFFPX-UHFFFAOYSA-N
MW317.89 g/mol
LogP2.87
Rot. Bonds4

About N-(2,3-dimethylcyclohexyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide;hydrochloride

N-(2,3-dimethylcyclohexyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide;hydrochloride (PubChem CID 6603260) has the molecular formula C14H24ClN3OS and a molecular weight of 317.89 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide;hydrochloride
PubChem CID6603260
Molecular FormulaC14H24ClN3OS
Molecular Weight317.89 g/mol
Exact Mass317.13
IUPAC NameN-(2,3-dimethylcyclohexyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide;hydrochloride
SMILESCC1CCCC(NC(=O)CSc2nccn2C)C1C.Cl
InChIInChI=1S/C14H23N3OS.ClH/c1-10-5-4-6-12(11(10)2)16-13(18)9-19-14-15-7-8-17(14)3;/h7-8,10-12H,4-6,9H2,1-3H3,(H,16,18);1H
InChIKeyYFJYRAUCYYFFPX-UHFFFAOYSA-N
XLogP2.87
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.89
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide;hydrochloride?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide;hydrochloride (CID 6603260) is N-(2,3-dimethylcyclohexyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide;hydrochloride.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide;hydrochloride?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide;hydrochloride is CC1CCCC(NC(=O)CSc2nccn2C)C1C.Cl.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide;hydrochloride?
The InChIKey is YFJYRAUCYYFFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS.ClH/c1-10-5-4-6-12(11(10)2)16-13(18)9-19-14-15-7-8-17(14)3;/h7-8,10-12H,4-6,9H2,1-3H3,(H,16,18);1H.
What are the key properties of N-(2,3-dimethylcyclohexyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide;hydrochloride?
N-(2,3-dimethylcyclohexyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide;hydrochloride has a molecular weight of 317.89 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclohexyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide;hydrochloride is sourced from PubChem (CID 6603260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).