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

C10H18O3S — CID 107767951

IUPAC2-(3-methylbutylsulfonyl)cyclopentan-1-one
SMILESCC(C)CCS(=O)(=O)C1CCCC1=O
InChIInChI=1S/C10H18O3S/c1-8(2)6-7-14(12,13)10-5-3-4-9(10)11/h8,10H,3-7H2,1-2H3
InChIKeyFJKAEXBEUPZBAE-UHFFFAOYSA-N
MW218.32 g/mol
LogP1.57
Rot. Bonds4

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

2-(3-methylbutylsulfonyl)cyclopentan-1-one (PubChem CID 107767951) has the molecular formula C10H18O3S and a molecular weight of 218.32 g/mol. Its IUPAC name is 2-(3-methylbutylsulfonyl)cyclopentan-1-one.

Molecular Properties

Compound Name2-(3-methylbutylsulfonyl)cyclopentan-1-one
PubChem CID107767951
Molecular FormulaC10H18O3S
Molecular Weight218.32 g/mol
Exact Mass218.10
IUPAC Name2-(3-methylbutylsulfonyl)cyclopentan-1-one
SMILESCC(C)CCS(=O)(=O)C1CCCC1=O
InChIInChI=1S/C10H18O3S/c1-8(2)6-7-14(12,13)10-5-3-4-9(10)11/h8,10H,3-7H2,1-2H3
InChIKeyFJKAEXBEUPZBAE-UHFFFAOYSA-N
XLogP1.57
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-pentylsulfonylcyclohexan-1-one
CID 107764455
2-(3-methylbutan-2-ylsulfonyl)cyclopentan-1-one
CID 107767571
N-methyl-2-oxocyclopentane-1-sulfonamide
CID 13398974
2-(2,5-dimethylhexyl)cyclopentan-1-one
CID 54572047
2-(3-methylbutyl)cyclohexan-1-one
CID 12840280
(2S)-2-(3-methylbutyl)cyclohexan-1-one
CID 101110174
N-methyl-3-(3-methylbutylsulfonyl)cyclopentan-1-amine
CID 107760400
2-methylsulfonylcycloheptan-1-one
CID 13128906
2-(3-methylbutyl)cyclopentane-1,3-dione
CID 574490
2-[methyl(2-methylpropyl)amino]cyclopentan-1-one
CID 43795675
2-(2-hydroxypropyl)cyclopentan-1-one
CID 79429477
2-oxocyclohexane-1-sulfonate
CID 74932974

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutylsulfonyl)cyclopentan-1-one?
The IUPAC name of 2-(3-methylbutylsulfonyl)cyclopentan-1-one (CID 107767951) is 2-(3-methylbutylsulfonyl)cyclopentan-1-one.
What is the SMILES notation for 2-(3-methylbutylsulfonyl)cyclopentan-1-one?
The canonical SMILES for 2-(3-methylbutylsulfonyl)cyclopentan-1-one is CC(C)CCS(=O)(=O)C1CCCC1=O.
What is the InChIKey of 2-(3-methylbutylsulfonyl)cyclopentan-1-one?
The InChIKey is FJKAEXBEUPZBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3S/c1-8(2)6-7-14(12,13)10-5-3-4-9(10)11/h8,10H,3-7H2,1-2H3.
What are the key properties of 2-(3-methylbutylsulfonyl)cyclopentan-1-one?
2-(3-methylbutylsulfonyl)cyclopentan-1-one has a molecular weight of 218.32 g/mol, XLogP of 1.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutylsulfonyl)cyclopentan-1-one is sourced from PubChem (CID 107767951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).