1-cyclopentyl-2-(2-methylbutylsulfonyl)ethanone

C12H22O3S — CID 107767727

IUPAC1-cyclopentyl-2-(2-methylbutylsulfonyl)ethanone
SMILESCCC(C)CS(=O)(=O)CC(=O)C1CCCC1
InChIInChI=1S/C12H22O3S/c1-3-10(2)8-16(14,15)9-12(13)11-6-4-5-7-11/h10-11H,3-9H2,1-2H3
InChIKeyKSVPLNCDJNWHQN-UHFFFAOYSA-N
MW246.37 g/mol
LogP2.21
Rot. Bonds6

About 1-cyclopentyl-2-(2-methylbutylsulfonyl)ethanone

1-cyclopentyl-2-(2-methylbutylsulfonyl)ethanone (PubChem CID 107767727) has the molecular formula C12H22O3S and a molecular weight of 246.37 g/mol. Its IUPAC name is 1-cyclopentyl-2-(2-methylbutylsulfonyl)ethanone.

Molecular Properties

Compound Name1-cyclopentyl-2-(2-methylbutylsulfonyl)ethanone
PubChem CID107767727
Molecular FormulaC12H22O3S
Molecular Weight246.37 g/mol
Exact Mass246.13
IUPAC Name1-cyclopentyl-2-(2-methylbutylsulfonyl)ethanone
SMILESCCC(C)CS(=O)(=O)CC(=O)C1CCCC1
InChIInChI=1S/C12H22O3S/c1-3-10(2)8-16(14,15)9-12(13)11-6-4-5-7-11/h10-11H,3-9H2,1-2H3
InChIKeyKSVPLNCDJNWHQN-UHFFFAOYSA-N
XLogP2.21
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.37
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-(2-methylbutylsulfonyl)ethanone?
The IUPAC name of 1-cyclopentyl-2-(2-methylbutylsulfonyl)ethanone (CID 107767727) is 1-cyclopentyl-2-(2-methylbutylsulfonyl)ethanone.
What is the SMILES notation for 1-cyclopentyl-2-(2-methylbutylsulfonyl)ethanone?
The canonical SMILES for 1-cyclopentyl-2-(2-methylbutylsulfonyl)ethanone is CCC(C)CS(=O)(=O)CC(=O)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-(2-methylbutylsulfonyl)ethanone?
The InChIKey is KSVPLNCDJNWHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3S/c1-3-10(2)8-16(14,15)9-12(13)11-6-4-5-7-11/h10-11H,3-9H2,1-2H3.
What are the key properties of 1-cyclopentyl-2-(2-methylbutylsulfonyl)ethanone?
1-cyclopentyl-2-(2-methylbutylsulfonyl)ethanone has a molecular weight of 246.37 g/mol, XLogP of 2.21, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-(2-methylbutylsulfonyl)ethanone is sourced from PubChem (CID 107767727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).