2-(3-methylbutan-2-ylsulfonyl)cyclopentan-1-one

C10H18O3S — CID 107767571

IUPAC2-(3-methylbutan-2-ylsulfonyl)cyclopentan-1-one
SMILESCC(C)C(C)S(=O)(=O)C1CCCC1=O
InChIInChI=1S/C10H18O3S/c1-7(2)8(3)14(12,13)10-6-4-5-9(10)11/h7-8,10H,4-6H2,1-3H3
InChIKeyXCXCZYNSKHRCGU-UHFFFAOYSA-N
MW218.32 g/mol
LogP1.57
Rot. Bonds3

About 2-(3-methylbutan-2-ylsulfonyl)cyclopentan-1-one

2-(3-methylbutan-2-ylsulfonyl)cyclopentan-1-one (PubChem CID 107767571) has the molecular formula C10H18O3S and a molecular weight of 218.32 g/mol. Its IUPAC name is 2-(3-methylbutan-2-ylsulfonyl)cyclopentan-1-one.

Molecular Properties

Compound Name2-(3-methylbutan-2-ylsulfonyl)cyclopentan-1-one
PubChem CID107767571
Molecular FormulaC10H18O3S
Molecular Weight218.32 g/mol
Exact Mass218.10
IUPAC Name2-(3-methylbutan-2-ylsulfonyl)cyclopentan-1-one
SMILESCC(C)C(C)S(=O)(=O)C1CCCC1=O
InChIInChI=1S/C10H18O3S/c1-7(2)8(3)14(12,13)10-6-4-5-9(10)11/h7-8,10H,4-6H2,1-3H3
InChIKeyXCXCZYNSKHRCGU-UHFFFAOYSA-N
XLogP1.57
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
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-(3-methylbutylsulfonyl)cyclopentan-1-one
CID 107767951
N-methyl-2-oxocyclopentane-1-sulfonamide
CID 13398974
2-methylsulfonylcycloheptan-1-one
CID 13128906
2-oxocyclohexane-1-sulfonate
CID 74932974
(1S)-2-oxocyclohexane-1-sulfonamide
CID 93494017
2-oxocycloheptane-1-sulfonamide
CID 13398983
2-(2-methylphenyl)sulfonylcyclopentan-1-one
CID 64635795
2-(1-bromoethyl)cyclopentan-1-one
CID 174906368
2-pentylsulfonylcyclohexan-1-one
CID 107764455
cis-(2S,3R)-3-methyl-2-propan-2-ylcyclohexan-1-one
CID 126671040
(2-oxocyclopentyl) 2-methylpropanoate
CID 118886288
(2S)-2-butan-2-ylcyclopentan-1-one
CID 89019015

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutan-2-ylsulfonyl)cyclopentan-1-one?
The IUPAC name of 2-(3-methylbutan-2-ylsulfonyl)cyclopentan-1-one (CID 107767571) is 2-(3-methylbutan-2-ylsulfonyl)cyclopentan-1-one.
What is the SMILES notation for 2-(3-methylbutan-2-ylsulfonyl)cyclopentan-1-one?
The canonical SMILES for 2-(3-methylbutan-2-ylsulfonyl)cyclopentan-1-one is CC(C)C(C)S(=O)(=O)C1CCCC1=O.
What is the InChIKey of 2-(3-methylbutan-2-ylsulfonyl)cyclopentan-1-one?
The InChIKey is XCXCZYNSKHRCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3S/c1-7(2)8(3)14(12,13)10-6-4-5-9(10)11/h7-8,10H,4-6H2,1-3H3.
What are the key properties of 2-(3-methylbutan-2-ylsulfonyl)cyclopentan-1-one?
2-(3-methylbutan-2-ylsulfonyl)cyclopentan-1-one has a molecular weight of 218.32 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutan-2-ylsulfonyl)cyclopentan-1-one is sourced from PubChem (CID 107767571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).