cyclopropanesulfonate

C3H5O3S- — CID 19088405

IUPACcyclopropanesulfonate
SMILESO=S(=O)([O-])C1CC1
InChIInChI=1S/C3H6O3S/c4-7(5,6)3-1-2-3/h3H,1-2H2,(H,4,5,6)/p-1
InChIKeyDLTBAYKGXREKMW-UHFFFAOYSA-M
MW121.14 g/mol
LogP-0.31
Rot. Bonds1

About cyclopropanesulfonate

cyclopropanesulfonate (PubChem CID 19088405) has the molecular formula C3H5O3S- and a molecular weight of 121.14 g/mol. Its IUPAC name is cyclopropanesulfonate.

Molecular Properties

Compound Namecyclopropanesulfonate
PubChem CID19088405
Molecular FormulaC3H5O3S-
Molecular Weight121.14 g/mol
Exact Mass121.00
IUPAC Namecyclopropanesulfonate
SMILESO=S(=O)([O-])C1CC1
InChIInChI=1S/C3H6O3S/c4-7(5,6)3-1-2-3/h3H,1-2H2,(H,4,5,6)/p-1
InChIKeyDLTBAYKGXREKMW-UHFFFAOYSA-M
XLogP-0.31
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.14
LogP ≤ 5-0.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 cyclopropanesulfonate?
The IUPAC name of cyclopropanesulfonate (CID 19088405) is cyclopropanesulfonate.
What is the SMILES notation for cyclopropanesulfonate?
The canonical SMILES for cyclopropanesulfonate is O=S(=O)([O-])C1CC1.
What is the InChIKey of cyclopropanesulfonate?
The InChIKey is DLTBAYKGXREKMW-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H6O3S/c4-7(5,6)3-1-2-3/h3H,1-2H2,(H,4,5,6)/p-1.
What are the key properties of cyclopropanesulfonate?
cyclopropanesulfonate has a molecular weight of 121.14 g/mol, XLogP of -0.31, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropanesulfonate is sourced from PubChem (CID 19088405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).