potassium propane-1-sulfonate

C3H7KO3S — CID 23693600

IUPACpotassium propane-1-sulfonate
SMILESCCCS(=O)(=O)[O-].[K+]
InChIInChI=1S/C3H8O3S.K/c1-2-3-7(4,5)6;/h2-3H2,1H3,(H,4,5,6);/q;+1/p-1
InChIKeyZQUDHVGNIZTEDK-UHFFFAOYSA-M
MW162.25 g/mol
LogP-3.05
Rot. Bonds2

About potassium propane-1-sulfonate

potassium propane-1-sulfonate (PubChem CID 23693600) has the molecular formula C3H7KO3S and a molecular weight of 162.25 g/mol. Its IUPAC name is potassium propane-1-sulfonate.

Molecular Properties

Compound Namepotassium propane-1-sulfonate
PubChem CID23693600
Molecular FormulaC3H7KO3S
Molecular Weight162.25 g/mol
Exact Mass161.98
IUPAC Namepotassium propane-1-sulfonate
SMILESCCCS(=O)(=O)[O-].[K+]
InChIInChI=1S/C3H8O3S.K/c1-2-3-7(4,5)6;/h2-3H2,1H3,(H,4,5,6);/q;+1/p-1
InChIKeyZQUDHVGNIZTEDK-UHFFFAOYSA-M
XLogP-3.05
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.25
LogP ≤ 5-3.05
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 potassium propane-1-sulfonate?
The IUPAC name of potassium propane-1-sulfonate (CID 23693600) is potassium propane-1-sulfonate.
What is the SMILES notation for potassium propane-1-sulfonate?
The canonical SMILES for potassium propane-1-sulfonate is CCCS(=O)(=O)[O-].[K+].
What is the InChIKey of potassium propane-1-sulfonate?
The InChIKey is ZQUDHVGNIZTEDK-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H8O3S.K/c1-2-3-7(4,5)6;/h2-3H2,1H3,(H,4,5,6);/q;+1/p-1.
What are the key properties of potassium propane-1-sulfonate?
potassium propane-1-sulfonate has a molecular weight of 162.25 g/mol, XLogP of -3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium propane-1-sulfonate is sourced from PubChem (CID 23693600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).