potassium cyclobutanesulfonate

C4H7KO3S — CID 23699525

IUPACpotassium cyclobutanesulfonate
SMILESO=S(=O)([O-])C1CCC1.[K+]
InChIInChI=1S/C4H8O3S.K/c5-8(6,7)4-2-1-3-4;/h4H,1-3H2,(H,5,6,7);/q;+1/p-1
InChIKeyGUUINFKZBYWBQU-UHFFFAOYSA-M
MW174.26 g/mol
LogP-2.91
Rot. Bonds1

About potassium cyclobutanesulfonate

potassium cyclobutanesulfonate (PubChem CID 23699525) has the molecular formula C4H7KO3S and a molecular weight of 174.26 g/mol. Its IUPAC name is potassium cyclobutanesulfonate.

Molecular Properties

Compound Namepotassium cyclobutanesulfonate
PubChem CID23699525
Molecular FormulaC4H7KO3S
Molecular Weight174.26 g/mol
Exact Mass173.98
IUPAC Namepotassium cyclobutanesulfonate
SMILESO=S(=O)([O-])C1CCC1.[K+]
InChIInChI=1S/C4H8O3S.K/c5-8(6,7)4-2-1-3-4;/h4H,1-3H2,(H,5,6,7);/q;+1/p-1
InChIKeyGUUINFKZBYWBQU-UHFFFAOYSA-M
XLogP-2.91
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.26
LogP ≤ 5-2.91
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

Cyclobutanesulfonyl chloride
CID 22636930
Sodium cyclobutanesulfinate
CID 68000899
Cyclobutanesulfonyl fluoride
CID 22935863
Cyclobutanesulfonyl bromide
CID 22935865
Cyclobutanesulfonyl iodide
CID 22935881
Cyclobutanesulfinate
CID 57421188
Cyclobutanesulfonate
CID 59513268
Sodium cyclobutanesulfonate
CID 162328272
Potassium;cyclobutanesulfonic acid;hydride
CID 173228066

Frequently Asked Questions

What is the IUPAC name of potassium cyclobutanesulfonate?
The IUPAC name of potassium cyclobutanesulfonate (CID 23699525) is potassium cyclobutanesulfonate.
What is the SMILES notation for potassium cyclobutanesulfonate?
The canonical SMILES for potassium cyclobutanesulfonate is O=S(=O)([O-])C1CCC1.[K+].
What is the InChIKey of potassium cyclobutanesulfonate?
The InChIKey is GUUINFKZBYWBQU-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H8O3S.K/c5-8(6,7)4-2-1-3-4;/h4H,1-3H2,(H,5,6,7);/q;+1/p-1.
What are the key properties of potassium cyclobutanesulfonate?
potassium cyclobutanesulfonate has a molecular weight of 174.26 g/mol, XLogP of -2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium cyclobutanesulfonate is sourced from PubChem (CID 23699525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).