potassium 1-aminopropane-2-sulfonic acid

C3H9KNO3S+ — CID 23077128

IUPACpotassium 1-aminopropane-2-sulfonic acid
SMILESCC(CN)S(=O)(=O)O.[K+]
InChIInChI=1S/C3H9NO3S.K/c1-3(2-4)8(5,6)7;/h3H,2,4H2,1H3,(H,5,6,7);/q;+1
InChIKeyPYIXNGSYTZXBAZ-UHFFFAOYSA-N
MW178.27 g/mol
LogP-3.77
Rot. Bonds2

About potassium 1-aminopropane-2-sulfonic acid

potassium 1-aminopropane-2-sulfonic acid (PubChem CID 23077128) has the molecular formula C3H9KNO3S+ and a molecular weight of 178.27 g/mol. Its IUPAC name is potassium 1-aminopropane-2-sulfonic acid.

Molecular Properties

Compound Namepotassium 1-aminopropane-2-sulfonic acid
PubChem CID23077128
Molecular FormulaC3H9KNO3S+
Molecular Weight178.27 g/mol
Exact Mass177.99
IUPAC Namepotassium 1-aminopropane-2-sulfonic acid
SMILESCC(CN)S(=O)(=O)O.[K+]
InChIInChI=1S/C3H9NO3S.K/c1-3(2-4)8(5,6)7;/h3H,2,4H2,1H3,(H,5,6,7);/q;+1
InChIKeyPYIXNGSYTZXBAZ-UHFFFAOYSA-N
XLogP-3.77
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 5-3.77
H-Bond Donors ≤ 52
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 1-aminopropane-2-sulfonic acid?
The IUPAC name of potassium 1-aminopropane-2-sulfonic acid (CID 23077128) is potassium 1-aminopropane-2-sulfonic acid.
What is the SMILES notation for potassium 1-aminopropane-2-sulfonic acid?
The canonical SMILES for potassium 1-aminopropane-2-sulfonic acid is CC(CN)S(=O)(=O)O.[K+].
What is the InChIKey of potassium 1-aminopropane-2-sulfonic acid?
The InChIKey is PYIXNGSYTZXBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9NO3S.K/c1-3(2-4)8(5,6)7;/h3H,2,4H2,1H3,(H,5,6,7);/q;+1.
What are the key properties of potassium 1-aminopropane-2-sulfonic acid?
potassium 1-aminopropane-2-sulfonic acid has a molecular weight of 178.27 g/mol, XLogP of -3.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 1-aminopropane-2-sulfonic acid is sourced from PubChem (CID 23077128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).