1-cyclopentyl-2-(4-methoxyphenyl)sulfanylethanone

C14H18O2S — CID 58762545

IUPAC1-cyclopentyl-2-(4-methoxyphenyl)sulfanylethanone
SMILESCOc1ccc(SCC(=O)C2CCCC2)cc1
InChIInChI=1S/C14H18O2S/c1-16-12-6-8-13(9-7-12)17-10-14(15)11-4-2-3-5-11/h6-9,11H,2-5,10H2,1H3
InChIKeyBQBONQULZOZYJW-UHFFFAOYSA-N
MW250.36 g/mol
LogP3.55
Rot. Bonds5

About 1-cyclopentyl-2-(4-methoxyphenyl)sulfanylethanone

1-cyclopentyl-2-(4-methoxyphenyl)sulfanylethanone (PubChem CID 58762545) has the molecular formula C14H18O2S and a molecular weight of 250.36 g/mol. Its IUPAC name is 1-cyclopentyl-2-(4-methoxyphenyl)sulfanylethanone.

Molecular Properties

Compound Name1-cyclopentyl-2-(4-methoxyphenyl)sulfanylethanone
PubChem CID58762545
Molecular FormulaC14H18O2S
Molecular Weight250.36 g/mol
Exact Mass250.10
IUPAC Name1-cyclopentyl-2-(4-methoxyphenyl)sulfanylethanone
SMILESCOc1ccc(SCC(=O)C2CCCC2)cc1
InChIInChI=1S/C14H18O2S/c1-16-12-6-8-13(9-7-12)17-10-14(15)11-4-2-3-5-11/h6-9,11H,2-5,10H2,1H3
InChIKeyBQBONQULZOZYJW-UHFFFAOYSA-N
XLogP3.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenyl)sulfanyl-1-(2-methylpiperidin-1-yl)ethanone
CID 78791464
N-cycloheptyl-2-(4-methoxyphenyl)sulfanylacetamide
CID 7992638
N-[4-(2-cyclohexyl-2-oxoethyl)sulfanylphenyl]acetamide
CID 47138243
N-cyclopentyloxy-2-(4-methoxyphenyl)sulfanylacetamide
CID 83201947
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(4-methoxyphenyl)sulfanylethanone
CID 134049356
1-cyclohexyl-2-[[5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 17440217
N-(2-cyclopropyl-2-hydroxyethyl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 55171211
1-[3-(4-methoxyphenyl)sulfanylpropanoyl]piperidine-2-carboxylic acid
CID 119175892
1-cyclohexyl-2-(4-methoxyphenyl)sulfinylethanone
CID 113449619
1-cyclopentyl-4-(4-methoxyphenyl)butan-1-one
CID 113390085
1-[2-(4-methoxyphenyl)sulfanylacetyl]pyrrolidine-2-carboxylic acid
CID 43092846
N-[2-(aminomethyl)cyclohexyl]-2-(4-methoxyphenyl)sulfanylacetamide;hydrochloride
CID 119612327

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-(4-methoxyphenyl)sulfanylethanone?
The IUPAC name of 1-cyclopentyl-2-(4-methoxyphenyl)sulfanylethanone (CID 58762545) is 1-cyclopentyl-2-(4-methoxyphenyl)sulfanylethanone.
What is the SMILES notation for 1-cyclopentyl-2-(4-methoxyphenyl)sulfanylethanone?
The canonical SMILES for 1-cyclopentyl-2-(4-methoxyphenyl)sulfanylethanone is COc1ccc(SCC(=O)C2CCCC2)cc1.
What is the InChIKey of 1-cyclopentyl-2-(4-methoxyphenyl)sulfanylethanone?
The InChIKey is BQBONQULZOZYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2S/c1-16-12-6-8-13(9-7-12)17-10-14(15)11-4-2-3-5-11/h6-9,11H,2-5,10H2,1H3.
What are the key properties of 1-cyclopentyl-2-(4-methoxyphenyl)sulfanylethanone?
1-cyclopentyl-2-(4-methoxyphenyl)sulfanylethanone has a molecular weight of 250.36 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-(4-methoxyphenyl)sulfanylethanone is sourced from PubChem (CID 58762545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).