cyclopentanesulfonic acid

C5H10O3S — CID 15707015

IUPACcyclopentanesulfonic acid
SMILESO=S(=O)(O)C1CCCC1
InChIInChI=1S/C5H10O3S/c6-9(7,8)5-3-1-2-4-5/h5H,1-4H2,(H,6,7,8)
InChIKeyYAIKGZQRXQYYJZ-UHFFFAOYSA-N
MW150.20 g/mol
LogP0.82
Rot. Bonds1

About cyclopentanesulfonic acid

cyclopentanesulfonic acid (PubChem CID 15707015) has the molecular formula C5H10O3S and a molecular weight of 150.20 g/mol. Its IUPAC name is cyclopentanesulfonic acid.

Molecular Properties

Compound Namecyclopentanesulfonic acid
PubChem CID15707015
Molecular FormulaC5H10O3S
Molecular Weight150.20 g/mol
Exact Mass150.04
IUPAC Namecyclopentanesulfonic acid
SMILESO=S(=O)(O)C1CCCC1
InChIInChI=1S/C5H10O3S/c6-9(7,8)5-3-1-2-4-5/h5H,1-4H2,(H,6,7,8)
InChIKeyYAIKGZQRXQYYJZ-UHFFFAOYSA-N
XLogP0.82
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.20
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclopentanesulfonic acid?
The IUPAC name of cyclopentanesulfonic acid (CID 15707015) is cyclopentanesulfonic acid.
What is the SMILES notation for cyclopentanesulfonic acid?
The canonical SMILES for cyclopentanesulfonic acid is O=S(=O)(O)C1CCCC1.
What is the InChIKey of cyclopentanesulfonic acid?
The InChIKey is YAIKGZQRXQYYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3S/c6-9(7,8)5-3-1-2-4-5/h5H,1-4H2,(H,6,7,8).
What are the key properties of cyclopentanesulfonic acid?
cyclopentanesulfonic acid has a molecular weight of 150.20 g/mol, XLogP of 0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentanesulfonic acid is sourced from PubChem (CID 15707015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).