1-cyclopentyl-2-(1-methylimidazol-2-yl)sulfanylethanone

C11H16N2OS — CID 115648629

IUPAC1-cyclopentyl-2-(1-methylimidazol-2-yl)sulfanylethanone
SMILESCn1ccnc1SCC(=O)C1CCCC1
InChIInChI=1S/C11H16N2OS/c1-13-7-6-12-11(13)15-8-10(14)9-4-2-3-5-9/h6-7,9H,2-5,8H2,1H3
InChIKeyMQGCRXVGUSPMOF-UHFFFAOYSA-N
MW224.33 g/mol
LogP2.27
Rot. Bonds4

About 1-cyclopentyl-2-(1-methylimidazol-2-yl)sulfanylethanone

1-cyclopentyl-2-(1-methylimidazol-2-yl)sulfanylethanone (PubChem CID 115648629) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 1-cyclopentyl-2-(1-methylimidazol-2-yl)sulfanylethanone.

Molecular Properties

Compound Name1-cyclopentyl-2-(1-methylimidazol-2-yl)sulfanylethanone
PubChem CID115648629
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name1-cyclopentyl-2-(1-methylimidazol-2-yl)sulfanylethanone
SMILESCn1ccnc1SCC(=O)C1CCCC1
InChIInChI=1S/C11H16N2OS/c1-13-7-6-12-11(13)15-8-10(14)9-4-2-3-5-9/h6-7,9H,2-5,8H2,1H3
InChIKeyMQGCRXVGUSPMOF-UHFFFAOYSA-N
XLogP2.27
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methylimidazol-2-yl)sulfanyl-1-pyrrolidin-1-ylethanone
CID 4064035
N-[(1S,2R)-2-methylcyclohexyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 40529252
1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-(1-methylimidazol-2-yl)sulfanylethanone
CID 25406812
N-(cyclohexylcarbamoyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 40529241
N-(cyclooctylmethyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 75405791
N-(cyclopropylmethyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 47144441
N-(dicyclopropylmethyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 30605276
1-cyclopentyl-2-(1,3-oxazol-2-ylsulfanyl)ethanone
CID 106923940
1-cyclopentyl-2-(1-methyltetrazol-5-yl)sulfanylethanone
CID 115648631
2-(1-methylimidazol-2-yl)sulfanylacetohydrazide
CID 63580041
(2S)-1-methyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]azepane-2-carboxamide
CID 97138987
1-cyclohexyl-2-(1-methyltetrazol-5-yl)sulfanylethanone
CID 115576378

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-(1-methylimidazol-2-yl)sulfanylethanone?
The IUPAC name of 1-cyclopentyl-2-(1-methylimidazol-2-yl)sulfanylethanone (CID 115648629) is 1-cyclopentyl-2-(1-methylimidazol-2-yl)sulfanylethanone.
What is the SMILES notation for 1-cyclopentyl-2-(1-methylimidazol-2-yl)sulfanylethanone?
The canonical SMILES for 1-cyclopentyl-2-(1-methylimidazol-2-yl)sulfanylethanone is Cn1ccnc1SCC(=O)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-(1-methylimidazol-2-yl)sulfanylethanone?
The InChIKey is MQGCRXVGUSPMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-13-7-6-12-11(13)15-8-10(14)9-4-2-3-5-9/h6-7,9H,2-5,8H2,1H3.
What are the key properties of 1-cyclopentyl-2-(1-methylimidazol-2-yl)sulfanylethanone?
1-cyclopentyl-2-(1-methylimidazol-2-yl)sulfanylethanone has a molecular weight of 224.33 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-(1-methylimidazol-2-yl)sulfanylethanone is sourced from PubChem (CID 115648629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).