N-[(1S,2R)-2-methylcyclohexyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide

C13H21N3OS — CID 40529252

IUPACN-[(1S,2R)-2-methylcyclohexyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide
SMILESC[C@@H]1CCCC[C@@H]1NC(=O)CSc1nccn1C
InChIInChI=1S/C13H21N3OS/c1-10-5-3-4-6-11(10)15-12(17)9-18-13-14-7-8-16(13)2/h7-8,10-11H,3-6,9H2,1-2H3,(H,15,17)/t10-,11+/m1/s1
InChIKeyRGWRBRHKPMTKHG-MNOVXSKESA-N
MW267.40 g/mol
LogP2.21
Rot. Bonds4

About N-[(1S,2R)-2-methylcyclohexyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide

N-[(1S,2R)-2-methylcyclohexyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide (PubChem CID 40529252) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is N-[(1S,2R)-2-methylcyclohexyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-methylcyclohexyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide
PubChem CID40529252
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC NameN-[(1S,2R)-2-methylcyclohexyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide
SMILESC[C@@H]1CCCC[C@@H]1NC(=O)CSc1nccn1C
InChIInChI=1S/C13H21N3OS/c1-10-5-3-4-6-11(10)15-12(17)9-18-13-14-7-8-16(13)2/h7-8,10-11H,3-6,9H2,1-2H3,(H,15,17)/t10-,11+/m1/s1
InChIKeyRGWRBRHKPMTKHG-MNOVXSKESA-N
XLogP2.21
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R,2S)-2-methylcyclohexyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2515024
N-(cyclooctylmethyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 75405791
N-(cyclohexylcarbamoyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 40529241
2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 7870852
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzamide
CID 129376758
1-cyclopentyl-2-(1-methylimidazol-2-yl)sulfanylethanone
CID 115648629
N-(cyclopropylmethyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 47144441
2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(2,3-dimethylcyclohexyl)acetamide
CID 17454224
N-(dicyclopropylmethyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 30605276
N-[(1S,2S)-2-methylcyclohexyl]-2-quinolin-8-ylsulfanylacetamide
CID 1276988
N-[(1S,2R)-2-methylcyclohexyl]-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 860090
2-(1-methylimidazol-2-yl)sulfanylacetohydrazide
CID 63580041

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-methylcyclohexyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide?
The IUPAC name of N-[(1S,2R)-2-methylcyclohexyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide (CID 40529252) is N-[(1S,2R)-2-methylcyclohexyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N-[(1S,2R)-2-methylcyclohexyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for N-[(1S,2R)-2-methylcyclohexyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide is C[C@@H]1CCCC[C@@H]1NC(=O)CSc1nccn1C.
What is the InChIKey of N-[(1S,2R)-2-methylcyclohexyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide?
The InChIKey is RGWRBRHKPMTKHG-MNOVXSKESA-N. The full InChI is InChI=1S/C13H21N3OS/c1-10-5-3-4-6-11(10)15-12(17)9-18-13-14-7-8-16(13)2/h7-8,10-11H,3-6,9H2,1-2H3,(H,15,17)/t10-,11+/m1/s1.
What are the key properties of N-[(1S,2R)-2-methylcyclohexyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide?
N-[(1S,2R)-2-methylcyclohexyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide has a molecular weight of 267.40 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-methylcyclohexyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 40529252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).