1-cyclohexyl-2-(cyclopentylmethylsulfanyl)ethanone

C14H24OS — CID 104752304

IUPAC1-cyclohexyl-2-(cyclopentylmethylsulfanyl)ethanone
SMILESO=C(CSCC1CCCC1)C1CCCCC1
InChIInChI=1S/C14H24OS/c15-14(13-8-2-1-3-9-13)11-16-10-12-6-4-5-7-12/h12-13H,1-11H2
InChIKeyXIKVYXODEOOANN-UHFFFAOYSA-N
MW240.41 g/mol
LogP4.06
Rot. Bonds5

About 1-cyclohexyl-2-(cyclopentylmethylsulfanyl)ethanone

1-cyclohexyl-2-(cyclopentylmethylsulfanyl)ethanone (PubChem CID 104752304) has the molecular formula C14H24OS and a molecular weight of 240.41 g/mol. Its IUPAC name is 1-cyclohexyl-2-(cyclopentylmethylsulfanyl)ethanone.

Molecular Properties

Compound Name1-cyclohexyl-2-(cyclopentylmethylsulfanyl)ethanone
PubChem CID104752304
Molecular FormulaC14H24OS
Molecular Weight240.41 g/mol
Exact Mass240.15
IUPAC Name1-cyclohexyl-2-(cyclopentylmethylsulfanyl)ethanone
SMILESO=C(CSCC1CCCC1)C1CCCCC1
InChIInChI=1S/C14H24OS/c15-14(13-8-2-1-3-9-13)11-16-10-12-6-4-5-7-12/h12-13H,1-11H2
InChIKeyXIKVYXODEOOANN-UHFFFAOYSA-N
XLogP4.06
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.41
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-cyclopropyl-2-ethylsulfanylethanone
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2-[(2-chlorophenyl)methylsulfanyl]-1-cyclopentylethanone
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1-cyclopropyl-2-propylsulfanylethanone
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2-cyclohexylsulfanyl-1-(4-ethylcyclohexyl)ethanone
CID 65139373
2-amino-3-(cyclopentylmethylsulfanyl)-2-cyclopropylpropan-1-ol
CID 64806558
2-[cyclohexylmethyl(methyl)amino]-1-cyclopentylethanone
CID 104750162
1-cycloheptyl-2-(cyclopropylmethylamino)ethanone
CID 116557770
1-cycloheptylbutan-1-one
CID 54353743
2-(cyclopentylmethylsulfanyl)-1-(1-methylpyrrol-2-yl)ethanone
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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(cyclopentylmethylsulfanyl)ethanone?
The IUPAC name of 1-cyclohexyl-2-(cyclopentylmethylsulfanyl)ethanone (CID 104752304) is 1-cyclohexyl-2-(cyclopentylmethylsulfanyl)ethanone.
What is the SMILES notation for 1-cyclohexyl-2-(cyclopentylmethylsulfanyl)ethanone?
The canonical SMILES for 1-cyclohexyl-2-(cyclopentylmethylsulfanyl)ethanone is O=C(CSCC1CCCC1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-(cyclopentylmethylsulfanyl)ethanone?
The InChIKey is XIKVYXODEOOANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24OS/c15-14(13-8-2-1-3-9-13)11-16-10-12-6-4-5-7-12/h12-13H,1-11H2.
What are the key properties of 1-cyclohexyl-2-(cyclopentylmethylsulfanyl)ethanone?
1-cyclohexyl-2-(cyclopentylmethylsulfanyl)ethanone has a molecular weight of 240.41 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(cyclopentylmethylsulfanyl)ethanone is sourced from PubChem (CID 104752304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).