1-cyclopentyl-3-(2-methylphenyl)sulfanylpropan-2-one

C15H20OS — CID 66095879

IUPAC1-cyclopentyl-3-(2-methylphenyl)sulfanylpropan-2-one
SMILESCc1ccccc1SCC(=O)CC1CCCC1
InChIInChI=1S/C15H20OS/c1-12-6-2-5-9-15(12)17-11-14(16)10-13-7-3-4-8-13/h2,5-6,9,13H,3-4,7-8,10-11H2,1H3
InChIKeyQBDHZDYWZRRFGG-UHFFFAOYSA-N
MW248.39 g/mol
LogP4.24
Rot. Bonds5

About 1-cyclopentyl-3-(2-methylphenyl)sulfanylpropan-2-one

1-cyclopentyl-3-(2-methylphenyl)sulfanylpropan-2-one (PubChem CID 66095879) has the molecular formula C15H20OS and a molecular weight of 248.39 g/mol. Its IUPAC name is 1-cyclopentyl-3-(2-methylphenyl)sulfanylpropan-2-one.

Molecular Properties

Compound Name1-cyclopentyl-3-(2-methylphenyl)sulfanylpropan-2-one
PubChem CID66095879
Molecular FormulaC15H20OS
Molecular Weight248.39 g/mol
Exact Mass248.12
IUPAC Name1-cyclopentyl-3-(2-methylphenyl)sulfanylpropan-2-one
SMILESCc1ccccc1SCC(=O)CC1CCCC1
InChIInChI=1S/C15H20OS/c1-12-6-2-5-9-15(12)17-11-14(16)10-13-7-3-4-8-13/h2,5-6,9,13H,3-4,7-8,10-11H2,1H3
InChIKeyQBDHZDYWZRRFGG-UHFFFAOYSA-N
XLogP4.24
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclobutyl-3-(2-methylphenyl)sulfanylpropan-2-one
CID 66096093
1-cyclopropyl-3-(2-methylphenyl)sulfanylpropan-2-one
CID 66095262
1-cycloheptyl-2-(2-methylphenyl)sulfanylethanone
CID 82932173
1-cyclopentyl-3-(2,6-dimethylphenyl)propan-2-one
CID 115792473
2-[1-[2-(2-methylphenyl)sulfanylacetyl]piperidin-2-yl]acetic acid
CID 61011351
1-cyclohexyl-3-(2,6-dimethylphenyl)propan-2-one
CID 115792622
2-(2-methylphenyl)sulfanyl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]acetamide
CID 95208865
6,6-dimethyl-1-(2-methylphenyl)sulfanylheptan-2-one
CID 114209828
1-[2-(1-aminoethyl)piperidin-1-yl]-2-(2-methylphenyl)sulfanylethanone
CID 119435336
1-[2-(1-aminoethyl)piperidin-1-yl]-2-(2-methylphenyl)sulfanylethanone;hydrochloride
CID 119435335
1-cyclopentyl-3-(2-methylphenyl)sulfanylpropan-2-amine
CID 66097359
1-cyclobutyl-4-(2-methylphenyl)butan-2-one
CID 105102936

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(2-methylphenyl)sulfanylpropan-2-one?
The IUPAC name of 1-cyclopentyl-3-(2-methylphenyl)sulfanylpropan-2-one (CID 66095879) is 1-cyclopentyl-3-(2-methylphenyl)sulfanylpropan-2-one.
What is the SMILES notation for 1-cyclopentyl-3-(2-methylphenyl)sulfanylpropan-2-one?
The canonical SMILES for 1-cyclopentyl-3-(2-methylphenyl)sulfanylpropan-2-one is Cc1ccccc1SCC(=O)CC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-(2-methylphenyl)sulfanylpropan-2-one?
The InChIKey is QBDHZDYWZRRFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20OS/c1-12-6-2-5-9-15(12)17-11-14(16)10-13-7-3-4-8-13/h2,5-6,9,13H,3-4,7-8,10-11H2,1H3.
What are the key properties of 1-cyclopentyl-3-(2-methylphenyl)sulfanylpropan-2-one?
1-cyclopentyl-3-(2-methylphenyl)sulfanylpropan-2-one has a molecular weight of 248.39 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(2-methylphenyl)sulfanylpropan-2-one is sourced from PubChem (CID 66095879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).