2-(methylsulfanylmethyl)cyclopentan-1-one

C7H12OS — CID 70257318

IUPAC2-(methylsulfanylmethyl)cyclopentan-1-one
SMILESCSCC1CCCC1=O
InChIInChI=1S/C7H12OS/c1-9-5-6-3-2-4-7(6)8/h6H,2-5H2,1H3
InChIKeyOWNFAKAQTJLVTJ-UHFFFAOYSA-N
MW144.24 g/mol
LogP1.72
Rot. Bonds2

About 2-(methylsulfanylmethyl)cyclopentan-1-one

2-(methylsulfanylmethyl)cyclopentan-1-one (PubChem CID 70257318) has the molecular formula C7H12OS and a molecular weight of 144.24 g/mol. Its IUPAC name is 2-(methylsulfanylmethyl)cyclopentan-1-one.

Molecular Properties

Compound Name2-(methylsulfanylmethyl)cyclopentan-1-one
PubChem CID70257318
Molecular FormulaC7H12OS
Molecular Weight144.24 g/mol
Exact Mass144.06
IUPAC Name2-(methylsulfanylmethyl)cyclopentan-1-one
SMILESCSCC1CCCC1=O
InChIInChI=1S/C7H12OS/c1-9-5-6-3-2-4-7(6)8/h6H,2-5H2,1H3
InChIKeyOWNFAKAQTJLVTJ-UHFFFAOYSA-N
XLogP1.72
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(methylsulfanylmethyl)cyclopentan-1-one?
The IUPAC name of 2-(methylsulfanylmethyl)cyclopentan-1-one (CID 70257318) is 2-(methylsulfanylmethyl)cyclopentan-1-one.
What is the SMILES notation for 2-(methylsulfanylmethyl)cyclopentan-1-one?
The canonical SMILES for 2-(methylsulfanylmethyl)cyclopentan-1-one is CSCC1CCCC1=O.
What is the InChIKey of 2-(methylsulfanylmethyl)cyclopentan-1-one?
The InChIKey is OWNFAKAQTJLVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12OS/c1-9-5-6-3-2-4-7(6)8/h6H,2-5H2,1H3.
What are the key properties of 2-(methylsulfanylmethyl)cyclopentan-1-one?
2-(methylsulfanylmethyl)cyclopentan-1-one has a molecular weight of 144.24 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylsulfanylmethyl)cyclopentan-1-one is sourced from PubChem (CID 70257318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).