2-methylsulfonylcyclopentan-1-one

C6H10O3S — CID 13128899

IUPAC2-methylsulfonylcyclopentan-1-one
SMILESCS(=O)(=O)C1CCCC1=O
InChIInChI=1S/C6H10O3S/c1-10(8,9)6-4-2-3-5(6)7/h6H,2-4H2,1H3
InChIKeyLMJFZVZRSUHVGT-UHFFFAOYSA-N
MW162.21 g/mol
LogP0.15
Rot. Bonds1

About 2-methylsulfonylcyclopentan-1-one

2-methylsulfonylcyclopentan-1-one (PubChem CID 13128899) has the molecular formula C6H10O3S and a molecular weight of 162.21 g/mol. Its IUPAC name is 2-methylsulfonylcyclopentan-1-one.

Molecular Properties

Compound Name2-methylsulfonylcyclopentan-1-one
PubChem CID13128899
Molecular FormulaC6H10O3S
Molecular Weight162.21 g/mol
Exact Mass162.04
IUPAC Name2-methylsulfonylcyclopentan-1-one
SMILESCS(=O)(=O)C1CCCC1=O
InChIInChI=1S/C6H10O3S/c1-10(8,9)6-4-2-3-5(6)7/h6H,2-4H2,1H3
InChIKeyLMJFZVZRSUHVGT-UHFFFAOYSA-N
XLogP0.15
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methanesulfonylcyclohexan-1-one
CID 12268302
4-Methanesulfonylbutan-2-one
CID 12465788
3-Methanesulfonylcyclohexan-1-one
CID 64716295
4-(Methylsulfonyl)cyclohexanone
CID 66940668
2-Methyl-3-oxothiophane-1-dioxide
CID 193929
5-Methylsulfinylpentan-2-one
CID 64639566
5-Methylsulfonylpentan-2-one
CID 59089663
2-(Butylsulfonyl)cyclopentanone
CID 289555
(2S)-2-methylsulfanyl-2-[(S)-methylsulfinyl]cyclopentan-1-one
CID 11367539
5-Ethylsulfonylpentan-2-one
CID 61057260
3-Oxohexyl methyl sulfone
CID 62622093
1-Methylsulfinylpentan-2-one
CID 64640165

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonylcyclopentan-1-one?
The IUPAC name of 2-methylsulfonylcyclopentan-1-one (CID 13128899) is 2-methylsulfonylcyclopentan-1-one.
What is the SMILES notation for 2-methylsulfonylcyclopentan-1-one?
The canonical SMILES for 2-methylsulfonylcyclopentan-1-one is CS(=O)(=O)C1CCCC1=O.
What is the InChIKey of 2-methylsulfonylcyclopentan-1-one?
The InChIKey is LMJFZVZRSUHVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3S/c1-10(8,9)6-4-2-3-5(6)7/h6H,2-4H2,1H3.
What are the key properties of 2-methylsulfonylcyclopentan-1-one?
2-methylsulfonylcyclopentan-1-one has a molecular weight of 162.21 g/mol, XLogP of 0.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonylcyclopentan-1-one is sourced from PubChem (CID 13128899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).