3-(2-methylsulfonylethyl)cyclopentan-1-one

C8H14O3S — CID 64521718

IUPAC3-(2-methylsulfonylethyl)cyclopentan-1-one
SMILESCS(=O)(=O)CCC1CCC(=O)C1
InChIInChI=1S/C8H14O3S/c1-12(10,11)5-4-7-2-3-8(9)6-7/h7H,2-6H2,1H3
InChIKeyNTSBBNNXUSXXDR-UHFFFAOYSA-N
MW190.26 g/mol
LogP0.79
Rot. Bonds3

About 3-(2-methylsulfonylethyl)cyclopentan-1-one

3-(2-methylsulfonylethyl)cyclopentan-1-one (PubChem CID 64521718) has the molecular formula C8H14O3S and a molecular weight of 190.26 g/mol. Its IUPAC name is 3-(2-methylsulfonylethyl)cyclopentan-1-one.

Molecular Properties

Compound Name3-(2-methylsulfonylethyl)cyclopentan-1-one
PubChem CID64521718
Molecular FormulaC8H14O3S
Molecular Weight190.26 g/mol
Exact Mass190.07
IUPAC Name3-(2-methylsulfonylethyl)cyclopentan-1-one
SMILESCS(=O)(=O)CCC1CCC(=O)C1
InChIInChI=1S/C8H14O3S/c1-12(10,11)5-4-7-2-3-8(9)6-7/h7H,2-6H2,1H3
InChIKeyNTSBBNNXUSXXDR-UHFFFAOYSA-N
XLogP0.79
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.26
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylsulfonylethyl)cyclopentan-1-one?
The IUPAC name of 3-(2-methylsulfonylethyl)cyclopentan-1-one (CID 64521718) is 3-(2-methylsulfonylethyl)cyclopentan-1-one.
What is the SMILES notation for 3-(2-methylsulfonylethyl)cyclopentan-1-one?
The canonical SMILES for 3-(2-methylsulfonylethyl)cyclopentan-1-one is CS(=O)(=O)CCC1CCC(=O)C1.
What is the InChIKey of 3-(2-methylsulfonylethyl)cyclopentan-1-one?
The InChIKey is NTSBBNNXUSXXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3S/c1-12(10,11)5-4-7-2-3-8(9)6-7/h7H,2-6H2,1H3.
What are the key properties of 3-(2-methylsulfonylethyl)cyclopentan-1-one?
3-(2-methylsulfonylethyl)cyclopentan-1-one has a molecular weight of 190.26 g/mol, XLogP of 0.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylsulfonylethyl)cyclopentan-1-one is sourced from PubChem (CID 64521718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).