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

C14H23N3OS — CID 2999050

IUPACN-(2,3-dimethylcyclohexyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
SMILESCC1CCCC(NC(=O)CSc2nccn2C)C1C
InChIInChI=1S/C14H23N3OS/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)
InChIKeyYENXFBVWKQCNKA-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.45
Rot. Bonds4

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

N-(2,3-dimethylcyclohexyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide (PubChem CID 2999050) has the molecular formula C14H23N3OS and a molecular weight of 281.42 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
PubChem CID2999050
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC NameN-(2,3-dimethylcyclohexyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
SMILESCC1CCCC(NC(=O)CSc2nccn2C)C1C
InChIInChI=1S/C14H23N3OS/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)
InChIKeyYENXFBVWKQCNKA-UHFFFAOYSA-N
XLogP2.45
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.45
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?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide (CID 2999050) is N-(2,3-dimethylcyclohexyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide is CC1CCCC(NC(=O)CSc2nccn2C)C1C.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide?
The InChIKey is YENXFBVWKQCNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/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).
What are the key properties of N-(2,3-dimethylcyclohexyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide?
N-(2,3-dimethylcyclohexyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide has a molecular weight of 281.42 g/mol, XLogP of 2.45, 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 is sourced from PubChem (CID 2999050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).