potassium;3-amino-3-oxopropane-1-sulfonic acid;hydride

C3H8KNO4S — CID 173000399

IUPACpotassium;3-amino-3-oxopropane-1-sulfonic acid;hydride
SMILESNC(=O)CCS(=O)(=O)O.[H-].[K+]
InChIInChI=1S/C3H7NO4S.K.H/c4-3(5)1-2-9(6,7)8;;/h1-2H2,(H2,4,5)(H,6,7,8);;/q;+1;-1
InChIKeyMRVAIRZVEMKRLO-UHFFFAOYSA-N
MW193.26 g/mol
LogP-4.13
Rot. Bonds3

About potassium;3-amino-3-oxopropane-1-sulfonic acid;hydride

potassium;3-amino-3-oxopropane-1-sulfonic acid;hydride (PubChem CID 173000399) has the molecular formula C3H8KNO4S and a molecular weight of 193.26 g/mol. Its IUPAC name is potassium;3-amino-3-oxopropane-1-sulfonic acid;hydride.

Molecular Properties

Compound Namepotassium;3-amino-3-oxopropane-1-sulfonic acid;hydride
PubChem CID173000399
Molecular FormulaC3H8KNO4S
Molecular Weight193.26 g/mol
Exact Mass192.98
IUPAC Namepotassium;3-amino-3-oxopropane-1-sulfonic acid;hydride
SMILESNC(=O)CCS(=O)(=O)O.[H-].[K+]
InChIInChI=1S/C3H7NO4S.K.H/c4-3(5)1-2-9(6,7)8;;/h1-2H2,(H2,4,5)(H,6,7,8);;/q;+1;-1
InChIKeyMRVAIRZVEMKRLO-UHFFFAOYSA-N
XLogP-4.13
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.26
LogP ≤ 5-4.13
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

3-amino-3-oxopropane-1-sulfonyl chloride
CID 84654245
4-amino-3-oxobutane-1-sulfonic acid
CID 15667652
(4-amino-4-oxobutyl)-dimethyl-(3-sulfopropyl)azanium
CID 122550419
calcium;ethane-1,2-disulfonic acid;hydride
CID 173073207
potassium 2-methylidene-4-sulfobutanoate
CID 87770575
2-aminoethanesulfonic acid;urea;hydrate
CID 134249189
potassium;amino(oxo)methanesulfonic acid;hydride
CID 173000398
acetamide;2-hydroxyethanesulfonic acid
CID 174595105
strontium;2-aminoethanesulfonic acid;hydride
CID 174530602
potassium;butanamide;hydride
CID 174374590
ethane-1,2-disulfonic acid;methane
CID 161397392
butanediamide;molybdenum
CID 161333962

Frequently Asked Questions

What is the IUPAC name of potassium;3-amino-3-oxopropane-1-sulfonic acid;hydride?
The IUPAC name of potassium;3-amino-3-oxopropane-1-sulfonic acid;hydride (CID 173000399) is potassium;3-amino-3-oxopropane-1-sulfonic acid;hydride.
What is the SMILES notation for potassium;3-amino-3-oxopropane-1-sulfonic acid;hydride?
The canonical SMILES for potassium;3-amino-3-oxopropane-1-sulfonic acid;hydride is NC(=O)CCS(=O)(=O)O.[H-].[K+].
What is the InChIKey of potassium;3-amino-3-oxopropane-1-sulfonic acid;hydride?
The InChIKey is MRVAIRZVEMKRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO4S.K.H/c4-3(5)1-2-9(6,7)8;;/h1-2H2,(H2,4,5)(H,6,7,8);;/q;+1;-1.
What are the key properties of potassium;3-amino-3-oxopropane-1-sulfonic acid;hydride?
potassium;3-amino-3-oxopropane-1-sulfonic acid;hydride has a molecular weight of 193.26 g/mol, XLogP of -4.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;3-amino-3-oxopropane-1-sulfonic acid;hydride is sourced from PubChem (CID 173000399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).