cyclopropanesulfonic acid

C3H6O3S — CID 10419166

IUPACcyclopropanesulfonic acid
SMILESO=S(=O)(O)C1CC1
InChIInChI=1S/C3H6O3S/c4-7(5,6)3-1-2-3/h3H,1-2H2,(H,4,5,6)
InChIKeyDLTBAYKGXREKMW-UHFFFAOYSA-N
MW122.14 g/mol
LogP0.04
Rot. Bonds1

About cyclopropanesulfonic acid

cyclopropanesulfonic acid (PubChem CID 10419166) has the molecular formula C3H6O3S and a molecular weight of 122.14 g/mol. Its IUPAC name is cyclopropanesulfonic acid.

Molecular Properties

Compound Namecyclopropanesulfonic acid
PubChem CID10419166
Molecular FormulaC3H6O3S
Molecular Weight122.14 g/mol
Exact Mass122.00
IUPAC Namecyclopropanesulfonic acid
SMILESO=S(=O)(O)C1CC1
InChIInChI=1S/C3H6O3S/c4-7(5,6)3-1-2-3/h3H,1-2H2,(H,4,5,6)
InChIKeyDLTBAYKGXREKMW-UHFFFAOYSA-N
XLogP0.04
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.14
LogP ≤ 50.04
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 cyclopropanesulfonic acid?
The IUPAC name of cyclopropanesulfonic acid (CID 10419166) is cyclopropanesulfonic acid.
What is the SMILES notation for cyclopropanesulfonic acid?
The canonical SMILES for cyclopropanesulfonic acid is O=S(=O)(O)C1CC1.
What is the InChIKey of cyclopropanesulfonic acid?
The InChIKey is DLTBAYKGXREKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O3S/c4-7(5,6)3-1-2-3/h3H,1-2H2,(H,4,5,6).
What are the key properties of cyclopropanesulfonic acid?
cyclopropanesulfonic acid has a molecular weight of 122.14 g/mol, XLogP of 0.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropanesulfonic acid is sourced from PubChem (CID 10419166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).