potassium;3-aminopropane-1-sulfonic acid;chloride

C3H9ClKNO3S — CID 172840895

IUPACpotassium;3-aminopropane-1-sulfonic acid;chloride
SMILESNCCCS(=O)(=O)O.[Cl-].[K+]
InChIInChI=1S/C3H9NO3S.ClH.K/c4-2-1-3-8(5,6)7;;/h1-4H2,(H,5,6,7);1H;/q;;+1/p-1
InChIKeyWTXBYCMUOMNPNO-UHFFFAOYSA-M
MW213.73 g/mol
LogP-6.77
Rot. Bonds3

About potassium;3-aminopropane-1-sulfonic acid;chloride

potassium;3-aminopropane-1-sulfonic acid;chloride (PubChem CID 172840895) has the molecular formula C3H9ClKNO3S and a molecular weight of 213.73 g/mol. Its IUPAC name is potassium;3-aminopropane-1-sulfonic acid;chloride.

Molecular Properties

Compound Namepotassium;3-aminopropane-1-sulfonic acid;chloride
PubChem CID172840895
Molecular FormulaC3H9ClKNO3S
Molecular Weight213.73 g/mol
Exact Mass212.96
IUPAC Namepotassium;3-aminopropane-1-sulfonic acid;chloride
SMILESNCCCS(=O)(=O)O.[Cl-].[K+]
InChIInChI=1S/C3H9NO3S.ClH.K/c4-2-1-3-8(5,6)7;;/h1-4H2,(H,5,6,7);1H;/q;;+1/p-1
InChIKeyWTXBYCMUOMNPNO-UHFFFAOYSA-M
XLogP-6.77
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.73
LogP ≤ 5-6.77
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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Related Compounds

strontium;3-aminopropane-1-sulfonic acid;hydride
CID 174544625
sodium;4-aminobutane-1-sulfonic acid;hydride
CID 173095969
butan-1-amine;butane-1-sulfonic acid
CID 159596824
4-aminobutane-1-sulfonic acid;butane
CID 172845680
propane-1,3-diamine;propane-1-sulfonic acid
CID 88791718
3-(17-aminoheptadecylamino)propane-1-sulfonic acid
CID 88797991
4-(17-aminoheptadecylamino)butane-1-sulfonic acid
CID 21316228
2-aminoethanesulfonic acid;iron
CID 174379186
2-aminoethanesulfonic acid;λ2-plumbane
CID 173327992
Ethanesulfonic acid,2-amino-, sodium salt (1:1)
CID 53471337
bis(3-aminopropyl)-methyl-(3-sulfopropyl)azanium
CID 53495195
CID 88853027
CID 88853027

Frequently Asked Questions

What is the IUPAC name of potassium;3-aminopropane-1-sulfonic acid;chloride?
The IUPAC name of potassium;3-aminopropane-1-sulfonic acid;chloride (CID 172840895) is potassium;3-aminopropane-1-sulfonic acid;chloride.
What is the SMILES notation for potassium;3-aminopropane-1-sulfonic acid;chloride?
The canonical SMILES for potassium;3-aminopropane-1-sulfonic acid;chloride is NCCCS(=O)(=O)O.[Cl-].[K+].
What is the InChIKey of potassium;3-aminopropane-1-sulfonic acid;chloride?
The InChIKey is WTXBYCMUOMNPNO-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H9NO3S.ClH.K/c4-2-1-3-8(5,6)7;;/h1-4H2,(H,5,6,7);1H;/q;;+1/p-1.
What are the key properties of potassium;3-aminopropane-1-sulfonic acid;chloride?
potassium;3-aminopropane-1-sulfonic acid;chloride has a molecular weight of 213.73 g/mol, XLogP of -6.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;3-aminopropane-1-sulfonic acid;chloride is sourced from PubChem (CID 172840895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).