2-formylcyclopentane-1-sulfonic acid

C6H10O4S — CID 175442125

IUPAC2-formylcyclopentane-1-sulfonic acid
SMILESO=CC1CCCC1S(=O)(=O)O
InChIInChI=1S/C6H10O4S/c7-4-5-2-1-3-6(5)11(8,9)10/h4-6H,1-3H2,(H,8,9,10)
InChIKeyDSLCCFQNODVBBV-UHFFFAOYSA-N
MW178.21 g/mol
LogP0.24
Rot. Bonds2

About 2-formylcyclopentane-1-sulfonic acid

2-formylcyclopentane-1-sulfonic acid (PubChem CID 175442125) has the molecular formula C6H10O4S and a molecular weight of 178.21 g/mol. Its IUPAC name is 2-formylcyclopentane-1-sulfonic acid.

Molecular Properties

Compound Name2-formylcyclopentane-1-sulfonic acid
PubChem CID175442125
Molecular FormulaC6H10O4S
Molecular Weight178.21 g/mol
Exact Mass178.03
IUPAC Name2-formylcyclopentane-1-sulfonic acid
SMILESO=CC1CCCC1S(=O)(=O)O
InChIInChI=1S/C6H10O4S/c7-4-5-2-1-3-6(5)11(8,9)10/h4-6H,1-3H2,(H,8,9,10)
InChIKeyDSLCCFQNODVBBV-UHFFFAOYSA-N
XLogP0.24
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-formylcyclopentane-1-sulfonic acid?
The IUPAC name of 2-formylcyclopentane-1-sulfonic acid (CID 175442125) is 2-formylcyclopentane-1-sulfonic acid.
What is the SMILES notation for 2-formylcyclopentane-1-sulfonic acid?
The canonical SMILES for 2-formylcyclopentane-1-sulfonic acid is O=CC1CCCC1S(=O)(=O)O.
What is the InChIKey of 2-formylcyclopentane-1-sulfonic acid?
The InChIKey is DSLCCFQNODVBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O4S/c7-4-5-2-1-3-6(5)11(8,9)10/h4-6H,1-3H2,(H,8,9,10).
What are the key properties of 2-formylcyclopentane-1-sulfonic acid?
2-formylcyclopentane-1-sulfonic acid has a molecular weight of 178.21 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formylcyclopentane-1-sulfonic acid is sourced from PubChem (CID 175442125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).