2-methyl-2-methylsulfanyl-3,3-diphenylcyclopentan-1-one

C19H20OS — CID 86187110

IUPAC2-methyl-2-methylsulfanyl-3,3-diphenylcyclopentan-1-one
SMILESCSC1(C)C(=O)CCC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H20OS/c1-18(21-2)17(20)13-14-19(18,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3
InChIKeyCNFSOOZWYISUFL-UHFFFAOYSA-N
MW296.44 g/mol
LogP4.46
Rot. Bonds3

About 2-methyl-2-methylsulfanyl-3,3-diphenylcyclopentan-1-one

2-methyl-2-methylsulfanyl-3,3-diphenylcyclopentan-1-one (PubChem CID 86187110) has the molecular formula C19H20OS and a molecular weight of 296.44 g/mol. Its IUPAC name is 2-methyl-2-methylsulfanyl-3,3-diphenylcyclopentan-1-one.

Molecular Properties

Compound Name2-methyl-2-methylsulfanyl-3,3-diphenylcyclopentan-1-one
PubChem CID86187110
Molecular FormulaC19H20OS
Molecular Weight296.44 g/mol
Exact Mass296.12
IUPAC Name2-methyl-2-methylsulfanyl-3,3-diphenylcyclopentan-1-one
SMILESCSC1(C)C(=O)CCC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H20OS/c1-18(21-2)17(20)13-14-19(18,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3
InChIKeyCNFSOOZWYISUFL-UHFFFAOYSA-N
XLogP4.46
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-methyl-2-methylsulfanyl-3,3-diphenylcyclopentan-1-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-methylsulfanyl-3,3-diphenylcyclopentan-1-one?
The IUPAC name of 2-methyl-2-methylsulfanyl-3,3-diphenylcyclopentan-1-one (CID 86187110) is 2-methyl-2-methylsulfanyl-3,3-diphenylcyclopentan-1-one.
What is the SMILES notation for 2-methyl-2-methylsulfanyl-3,3-diphenylcyclopentan-1-one?
The canonical SMILES for 2-methyl-2-methylsulfanyl-3,3-diphenylcyclopentan-1-one is CSC1(C)C(=O)CCC1(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-methyl-2-methylsulfanyl-3,3-diphenylcyclopentan-1-one?
The InChIKey is CNFSOOZWYISUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20OS/c1-18(21-2)17(20)13-14-19(18,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3.
What are the key properties of 2-methyl-2-methylsulfanyl-3,3-diphenylcyclopentan-1-one?
2-methyl-2-methylsulfanyl-3,3-diphenylcyclopentan-1-one has a molecular weight of 296.44 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-methylsulfanyl-3,3-diphenylcyclopentan-1-one is sourced from PubChem (CID 86187110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).