3-cyclopentylsulfonylpropanoic acid

C8H14O4S — CID 24711582

IUPAC3-cyclopentylsulfonylpropanoic acid
SMILESO=C(O)CCS(=O)(=O)C1CCCC1
InChIInChI=1S/C8H14O4S/c9-8(10)5-6-13(11,12)7-3-1-2-4-7/h7H,1-6H2,(H,9,10)
InChIKeyXBQHBAXTFGGWBU-UHFFFAOYSA-N
MW206.26 g/mol
LogP0.82
Rot. Bonds4

About 3-cyclopentylsulfonylpropanoic acid

3-cyclopentylsulfonylpropanoic acid (PubChem CID 24711582) has the molecular formula C8H14O4S and a molecular weight of 206.26 g/mol. Its IUPAC name is 3-cyclopentylsulfonylpropanoic acid.

Molecular Properties

Compound Name3-cyclopentylsulfonylpropanoic acid
PubChem CID24711582
Molecular FormulaC8H14O4S
Molecular Weight206.26 g/mol
Exact Mass206.06
IUPAC Name3-cyclopentylsulfonylpropanoic acid
SMILESO=C(O)CCS(=O)(=O)C1CCCC1
InChIInChI=1S/C8H14O4S/c9-8(10)5-6-13(11,12)7-3-1-2-4-7/h7H,1-6H2,(H,9,10)
InChIKeyXBQHBAXTFGGWBU-UHFFFAOYSA-N
XLogP0.82
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentylsulfonylpropanoic acid?
The IUPAC name of 3-cyclopentylsulfonylpropanoic acid (CID 24711582) is 3-cyclopentylsulfonylpropanoic acid.
What is the SMILES notation for 3-cyclopentylsulfonylpropanoic acid?
The canonical SMILES for 3-cyclopentylsulfonylpropanoic acid is O=C(O)CCS(=O)(=O)C1CCCC1.
What is the InChIKey of 3-cyclopentylsulfonylpropanoic acid?
The InChIKey is XBQHBAXTFGGWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4S/c9-8(10)5-6-13(11,12)7-3-1-2-4-7/h7H,1-6H2,(H,9,10).
What are the key properties of 3-cyclopentylsulfonylpropanoic acid?
3-cyclopentylsulfonylpropanoic acid has a molecular weight of 206.26 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentylsulfonylpropanoic acid is sourced from PubChem (CID 24711582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).