1-cycloheptyl-2-(2-methylphenyl)sulfanylethanone

C16H22OS — CID 82932173

IUPAC1-cycloheptyl-2-(2-methylphenyl)sulfanylethanone
SMILESCc1ccccc1SCC(=O)C1CCCCCC1
InChIInChI=1S/C16H22OS/c1-13-8-6-7-11-16(13)18-12-15(17)14-9-4-2-3-5-10-14/h6-8,11,14H,2-5,9-10,12H2,1H3
InChIKeyUIIDPHVTGJOUJR-UHFFFAOYSA-N
MW262.42 g/mol
LogP4.63
Rot. Bonds4

About 1-cycloheptyl-2-(2-methylphenyl)sulfanylethanone

1-cycloheptyl-2-(2-methylphenyl)sulfanylethanone (PubChem CID 82932173) has the molecular formula C16H22OS and a molecular weight of 262.42 g/mol. Its IUPAC name is 1-cycloheptyl-2-(2-methylphenyl)sulfanylethanone.

Molecular Properties

Compound Name1-cycloheptyl-2-(2-methylphenyl)sulfanylethanone
PubChem CID82932173
Molecular FormulaC16H22OS
Molecular Weight262.42 g/mol
Exact Mass262.14
IUPAC Name1-cycloheptyl-2-(2-methylphenyl)sulfanylethanone
SMILESCc1ccccc1SCC(=O)C1CCCCCC1
InChIInChI=1S/C16H22OS/c1-13-8-6-7-11-16(13)18-12-15(17)14-9-4-2-3-5-10-14/h6-8,11,14H,2-5,9-10,12H2,1H3
InChIKeyUIIDPHVTGJOUJR-UHFFFAOYSA-N
XLogP4.63
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-cycloheptyl-2-(2-methylphenyl)sulfanylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cycloheptyl-2-(2-fluorophenyl)sulfanylethanone
CID 82931688
1-cyclopentyl-3-(2-methylphenyl)sulfanylpropan-2-one
CID 66095879
(3S)-1-[2-(2-methylphenyl)sulfanylacetyl]piperidine-3-carboxylic acid
CID 81125681
1-cyclobutyl-3-(2-methylphenyl)sulfanylpropan-2-one
CID 66096093
1-cyclopropyl-3-(2-methylphenyl)sulfanylpropan-2-one
CID 66095262
1-[2-(1-aminoethyl)piperidin-1-yl]-2-(2-methylphenyl)sulfanylethanone
CID 119435336
ethyl 1-[2-(2-methylphenyl)sulfanylacetyl]piperidine-3-carboxylate
CID 78785099
2-[1-[2-(2-methylphenyl)sulfanylacetyl]piperidin-2-yl]acetic acid
CID 61011351
1-[2-(1-aminoethyl)piperidin-1-yl]-2-(2-methylphenyl)sulfanylethanone;hydrochloride
CID 119435335
[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 2-(2-methylphenyl)sulfanylacetate
CID 7229605
1-cyclohexyl-3-(2-methylphenyl)propan-1-one
CID 24725660
1-cyclohexyl-2-(2-methylphenyl)sulfinylethanone
CID 113449628

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-2-(2-methylphenyl)sulfanylethanone?
The IUPAC name of 1-cycloheptyl-2-(2-methylphenyl)sulfanylethanone (CID 82932173) is 1-cycloheptyl-2-(2-methylphenyl)sulfanylethanone.
What is the SMILES notation for 1-cycloheptyl-2-(2-methylphenyl)sulfanylethanone?
The canonical SMILES for 1-cycloheptyl-2-(2-methylphenyl)sulfanylethanone is Cc1ccccc1SCC(=O)C1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-2-(2-methylphenyl)sulfanylethanone?
The InChIKey is UIIDPHVTGJOUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22OS/c1-13-8-6-7-11-16(13)18-12-15(17)14-9-4-2-3-5-10-14/h6-8,11,14H,2-5,9-10,12H2,1H3.
What are the key properties of 1-cycloheptyl-2-(2-methylphenyl)sulfanylethanone?
1-cycloheptyl-2-(2-methylphenyl)sulfanylethanone has a molecular weight of 262.42 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-2-(2-methylphenyl)sulfanylethanone is sourced from PubChem (CID 82932173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).