cycloheptyl-(2-methylsulfanylphenyl)methanone

C15H20OS — CID 115794815

IUPACcycloheptyl-(2-methylsulfanylphenyl)methanone
SMILESCSc1ccccc1C(=O)C1CCCCCC1
InChIInChI=1S/C15H20OS/c1-17-14-11-7-6-10-13(14)15(16)12-8-4-2-3-5-9-12/h6-7,10-12H,2-5,8-9H2,1H3
InChIKeyLSNYCWJMVGFAJZ-UHFFFAOYSA-N
MW248.39 g/mol
LogP4.56
Rot. Bonds3

About cycloheptyl-(2-methylsulfanylphenyl)methanone

cycloheptyl-(2-methylsulfanylphenyl)methanone (PubChem CID 115794815) has the molecular formula C15H20OS and a molecular weight of 248.39 g/mol. Its IUPAC name is cycloheptyl-(2-methylsulfanylphenyl)methanone.

Molecular Properties

Compound Namecycloheptyl-(2-methylsulfanylphenyl)methanone
PubChem CID115794815
Molecular FormulaC15H20OS
Molecular Weight248.39 g/mol
Exact Mass248.12
IUPAC Namecycloheptyl-(2-methylsulfanylphenyl)methanone
SMILESCSc1ccccc1C(=O)C1CCCCCC1
InChIInChI=1S/C15H20OS/c1-17-14-11-7-6-10-13(14)15(16)12-8-4-2-3-5-9-12/h6-7,10-12H,2-5,8-9H2,1H3
InChIKeyLSNYCWJMVGFAJZ-UHFFFAOYSA-N
XLogP4.56
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze cycloheptyl-(2-methylsulfanylphenyl)methanone 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

cyclopropyl-(2-methylsulfanylphenyl)methanone
CID 24724093
(3S)-3-(2-methylsulfanylbenzoyl)-N-propan-2-ylpiperidine-1-carboxamide
CID 25291677
cyclohexyl-(2-propan-2-ylphenyl)methanone
CID 146007151
cyclooctyl-(2-methylphenyl)methanone
CID 80602643
(2-methylsulfanylphenyl)-(thian-2-yl)methanone
CID 80595138
[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-(2-methylsulfanylphenyl)methanone
CID 45226774
[(3S)-1-(furan-3-carbonyl)piperidin-3-yl]-(2-methylsulfanylphenyl)methanone
CID 25368531
N-benzyl-3-(2-methylsulfanylbenzoyl)piperidine-1-carboxamide
CID 45183967
(3S)-N-benzyl-3-(2-methylsulfanylbenzoyl)piperidine-1-carboxamide
CID 42363244
cycloheptyl-(2-iodophenyl)methanone
CID 115794862
cyclooctyl-(2-methoxyphenyl)methanone
CID 80602820
1-(2-methylsulfanylbenzoyl)piperidine-3-carbothioamide
CID 79215136

Frequently Asked Questions

What is the IUPAC name of cycloheptyl-(2-methylsulfanylphenyl)methanone?
The IUPAC name of cycloheptyl-(2-methylsulfanylphenyl)methanone (CID 115794815) is cycloheptyl-(2-methylsulfanylphenyl)methanone.
What is the SMILES notation for cycloheptyl-(2-methylsulfanylphenyl)methanone?
The canonical SMILES for cycloheptyl-(2-methylsulfanylphenyl)methanone is CSc1ccccc1C(=O)C1CCCCCC1.
What is the InChIKey of cycloheptyl-(2-methylsulfanylphenyl)methanone?
The InChIKey is LSNYCWJMVGFAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20OS/c1-17-14-11-7-6-10-13(14)15(16)12-8-4-2-3-5-9-12/h6-7,10-12H,2-5,8-9H2,1H3.
What are the key properties of cycloheptyl-(2-methylsulfanylphenyl)methanone?
cycloheptyl-(2-methylsulfanylphenyl)methanone has a molecular weight of 248.39 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptyl-(2-methylsulfanylphenyl)methanone is sourced from PubChem (CID 115794815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).