potassium cyclopropanesulfonate

C3H5KO3S — CID 57372116

IUPACpotassium cyclopropanesulfonate
SMILESO=S(=O)([O-])C1CC1.[K+]
InChIInChI=1S/C3H6O3S.K/c4-7(5,6)3-1-2-3;/h3H,1-2H2,(H,4,5,6);/q;+1/p-1
InChIKeyFMZAVKWMUFCNBW-UHFFFAOYSA-M
MW160.23 g/mol
LogP-3.30
Rot. Bonds1

About potassium cyclopropanesulfonate

potassium cyclopropanesulfonate (PubChem CID 57372116) has the molecular formula C3H5KO3S and a molecular weight of 160.23 g/mol. Its IUPAC name is potassium cyclopropanesulfonate.

Molecular Properties

Compound Namepotassium cyclopropanesulfonate
PubChem CID57372116
Molecular FormulaC3H5KO3S
Molecular Weight160.23 g/mol
Exact Mass159.96
IUPAC Namepotassium cyclopropanesulfonate
SMILESO=S(=O)([O-])C1CC1.[K+]
InChIInChI=1S/C3H6O3S.K/c4-7(5,6)3-1-2-3;/h3H,1-2H2,(H,4,5,6);/q;+1/p-1
InChIKeyFMZAVKWMUFCNBW-UHFFFAOYSA-M
XLogP-3.30
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.23
LogP ≤ 5-3.30
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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Related Compounds

Cyclopropanesulfonyl chloride
CID 2760919
Sodium cyclopropanesulfinate
CID 42643363
Cyclopropanesulfonyl fluoride
CID 22935870
Cyclopropanesulfonic Acid
CID 10419166
Cyclopropanesulfonyl bromide
CID 22935856
Potassium propane-1-sulfonate
CID 23693600
Sodium cyclopropanesulfonate
CID 57665337
cis-(1S,2R)-2-fluorocyclopropane-1-sulfonate
CID 141658741
Cyclopropanesulfonate
CID 19088405
CID 20739353
CID 20739353
Cyclopropanesulfonyl iodide
CID 22935899
Lithium cyclopropanesulfinate
CID 23697073

Frequently Asked Questions

What is the IUPAC name of potassium cyclopropanesulfonate?
The IUPAC name of potassium cyclopropanesulfonate (CID 57372116) is potassium cyclopropanesulfonate.
What is the SMILES notation for potassium cyclopropanesulfonate?
The canonical SMILES for potassium cyclopropanesulfonate is O=S(=O)([O-])C1CC1.[K+].
What is the InChIKey of potassium cyclopropanesulfonate?
The InChIKey is FMZAVKWMUFCNBW-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H6O3S.K/c4-7(5,6)3-1-2-3;/h3H,1-2H2,(H,4,5,6);/q;+1/p-1.
What are the key properties of potassium cyclopropanesulfonate?
potassium cyclopropanesulfonate has a molecular weight of 160.23 g/mol, XLogP of -3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium cyclopropanesulfonate is sourced from PubChem (CID 57372116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).