2-[2-(4-methylphenyl)sulfonylethyl]cyclopentan-1-one

C14H18O3S — CID 79576948

IUPAC2-[2-(4-methylphenyl)sulfonylethyl]cyclopentan-1-one
SMILESCc1ccc(S(=O)(=O)CCC2CCCC2=O)cc1
InChIInChI=1S/C14H18O3S/c1-11-5-7-13(8-6-11)18(16,17)10-9-12-3-2-4-14(12)15/h5-8,12H,2-4,9-10H2,1H3
InChIKeyDSRTXZCWNPFZDE-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.53
Rot. Bonds4

About 2-[2-(4-methylphenyl)sulfonylethyl]cyclopentan-1-one

2-[2-(4-methylphenyl)sulfonylethyl]cyclopentan-1-one (PubChem CID 79576948) has the molecular formula C14H18O3S and a molecular weight of 266.36 g/mol. Its IUPAC name is 2-[2-(4-methylphenyl)sulfonylethyl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[2-(4-methylphenyl)sulfonylethyl]cyclopentan-1-one
PubChem CID79576948
Molecular FormulaC14H18O3S
Molecular Weight266.36 g/mol
Exact Mass266.10
IUPAC Name2-[2-(4-methylphenyl)sulfonylethyl]cyclopentan-1-one
SMILESCc1ccc(S(=O)(=O)CCC2CCCC2=O)cc1
InChIInChI=1S/C14H18O3S/c1-11-5-7-13(8-6-11)18(16,17)10-9-12-3-2-4-14(12)15/h5-8,12H,2-4,9-10H2,1H3
InChIKeyDSRTXZCWNPFZDE-UHFFFAOYSA-N
XLogP2.53
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-propan-2-ylphenyl)sulfonylethyl]cyclopentan-1-one
CID 79576414
1-methyl-4-[(2-methylidenecyclopentyl)methylsulfonyl]benzene
CID 13268798
2-[(4-methylphenyl)methyl]cyclopentan-1-one
CID 18714737
2-(2-propylsulfonylethyl)cyclopentan-1-one
CID 79575849
(2-oxocyclopentyl) 4-methylbenzenesulfonate
CID 11817651
2-(2-butylsulfonylethyl)cyclopentan-1-one
CID 79576845
(3S)-3-[(4-methylphenyl)sulfonylmethyl]piperidin-2-one
CID 160872668
1-methyl-4-[19-(4-methylphenyl)sulfonylnonadecylsulfonyl]benzene
CID 67740848
1-methyl-4-[16-(4-methylphenyl)sulfonylhexadecylsulfonyl]benzene
CID 67740861
2-[2-[(4-chlorophenyl)methylsulfonyl]ethyl]cyclopentan-1-one
CID 114792723
2-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]cyclopentan-1-one
CID 79570038
5-methyl-1-[2-(2-oxocyclopentyl)ethyl]indole-2,3-dione
CID 79568978

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylphenyl)sulfonylethyl]cyclopentan-1-one?
The IUPAC name of 2-[2-(4-methylphenyl)sulfonylethyl]cyclopentan-1-one (CID 79576948) is 2-[2-(4-methylphenyl)sulfonylethyl]cyclopentan-1-one.
What is the SMILES notation for 2-[2-(4-methylphenyl)sulfonylethyl]cyclopentan-1-one?
The canonical SMILES for 2-[2-(4-methylphenyl)sulfonylethyl]cyclopentan-1-one is Cc1ccc(S(=O)(=O)CCC2CCCC2=O)cc1.
What is the InChIKey of 2-[2-(4-methylphenyl)sulfonylethyl]cyclopentan-1-one?
The InChIKey is DSRTXZCWNPFZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3S/c1-11-5-7-13(8-6-11)18(16,17)10-9-12-3-2-4-14(12)15/h5-8,12H,2-4,9-10H2,1H3.
What are the key properties of 2-[2-(4-methylphenyl)sulfonylethyl]cyclopentan-1-one?
2-[2-(4-methylphenyl)sulfonylethyl]cyclopentan-1-one has a molecular weight of 266.36 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylphenyl)sulfonylethyl]cyclopentan-1-one is sourced from PubChem (CID 79576948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).