2-cyclopentyl-2-methylsulfonylacetic acid

C8H14O4S — CID 82931049

IUPAC2-cyclopentyl-2-methylsulfonylacetic acid
SMILESCS(=O)(=O)C(C(=O)O)C1CCCC1
InChIInChI=1S/C8H14O4S/c1-13(11,12)7(8(9)10)6-4-2-3-5-6/h6-7H,2-5H2,1H3,(H,9,10)
InChIKeySQLOUVWAEUAWSX-UHFFFAOYSA-N
MW206.26 g/mol
LogP0.67
Rot. Bonds3

About 2-cyclopentyl-2-methylsulfonylacetic acid

2-cyclopentyl-2-methylsulfonylacetic acid (PubChem CID 82931049) has the molecular formula C8H14O4S and a molecular weight of 206.26 g/mol. Its IUPAC name is 2-cyclopentyl-2-methylsulfonylacetic acid.

Molecular Properties

Compound Name2-cyclopentyl-2-methylsulfonylacetic acid
PubChem CID82931049
Molecular FormulaC8H14O4S
Molecular Weight206.26 g/mol
Exact Mass206.06
IUPAC Name2-cyclopentyl-2-methylsulfonylacetic acid
SMILESCS(=O)(=O)C(C(=O)O)C1CCCC1
InChIInChI=1S/C8H14O4S/c1-13(11,12)7(8(9)10)6-4-2-3-5-6/h6-7H,2-5H2,1H3,(H,9,10)
InChIKeySQLOUVWAEUAWSX-UHFFFAOYSA-N
XLogP0.67
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-methylsulfonylacetic acid?
The IUPAC name of 2-cyclopentyl-2-methylsulfonylacetic acid (CID 82931049) is 2-cyclopentyl-2-methylsulfonylacetic acid.
What is the SMILES notation for 2-cyclopentyl-2-methylsulfonylacetic acid?
The canonical SMILES for 2-cyclopentyl-2-methylsulfonylacetic acid is CS(=O)(=O)C(C(=O)O)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-2-methylsulfonylacetic acid?
The InChIKey is SQLOUVWAEUAWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4S/c1-13(11,12)7(8(9)10)6-4-2-3-5-6/h6-7H,2-5H2,1H3,(H,9,10).
What are the key properties of 2-cyclopentyl-2-methylsulfonylacetic acid?
2-cyclopentyl-2-methylsulfonylacetic acid has a molecular weight of 206.26 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-methylsulfonylacetic acid is sourced from PubChem (CID 82931049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).