1-hydrazinylpropane-1-sulfonic acid

C3H10N2O3S — CID 15566458

IUPAC1-hydrazinylpropane-1-sulfonic acid
SMILESCCC(NN)S(=O)(=O)O
InChIInChI=1S/C3H10N2O3S/c1-2-3(5-4)9(6,7)8/h3,5H,2,4H2,1H3,(H,6,7,8)
InChIKeyCAYZAZZMHSFFIU-UHFFFAOYSA-N
MW154.19 g/mol
LogP-0.93
Rot. Bonds3

About 1-hydrazinylpropane-1-sulfonic acid

1-hydrazinylpropane-1-sulfonic acid (PubChem CID 15566458) has the molecular formula C3H10N2O3S and a molecular weight of 154.19 g/mol. Its IUPAC name is 1-hydrazinylpropane-1-sulfonic acid.

Molecular Properties

Compound Name1-hydrazinylpropane-1-sulfonic acid
PubChem CID15566458
Molecular FormulaC3H10N2O3S
Molecular Weight154.19 g/mol
Exact Mass154.04
IUPAC Name1-hydrazinylpropane-1-sulfonic acid
SMILESCCC(NN)S(=O)(=O)O
InChIInChI=1S/C3H10N2O3S/c1-2-3(5-4)9(6,7)8/h3,5H,2,4H2,1H3,(H,6,7,8)
InChIKeyCAYZAZZMHSFFIU-UHFFFAOYSA-N
XLogP-0.93
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.19
LogP ≤ 5-0.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

CID 160940736
CID 160940736
sodium;1-(carbamothioylamino)propane-1-sulfonic acid;hydride
CID 175370370
1-[[(2S)-2-amino-3-methylbutanoyl]amino]propane-1-sulfonic acid
CID 175966630
1-(cyclopentylamino)propane-1-sulfonic acid
CID 157022860
(2R)-butane-2-sulfonic acid
CID 46398806
1-(hexadecanoylamino)propane-1-sulfonic acid
CID 156636169
1-[(4-methylcyclohexyl)amino]propane-1-sulfonic acid
CID 121482028
sulfuric acid;triethyl(methyl)phosphanium
CID 174902291
CID 87069248
CID 87069248
1-aminopropane-1-sulfonic acid;2-(2-hydroxyethylamino)ethanol
CID 174735970
1-amino-1-sulfanylidenebutane-2-sulfonic acid
CID 151185934
1-hydroxybutan-2-ylsulfamic acid
CID 150046835

Frequently Asked Questions

What is the IUPAC name of 1-hydrazinylpropane-1-sulfonic acid?
The IUPAC name of 1-hydrazinylpropane-1-sulfonic acid (CID 15566458) is 1-hydrazinylpropane-1-sulfonic acid.
What is the SMILES notation for 1-hydrazinylpropane-1-sulfonic acid?
The canonical SMILES for 1-hydrazinylpropane-1-sulfonic acid is CCC(NN)S(=O)(=O)O.
What is the InChIKey of 1-hydrazinylpropane-1-sulfonic acid?
The InChIKey is CAYZAZZMHSFFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10N2O3S/c1-2-3(5-4)9(6,7)8/h3,5H,2,4H2,1H3,(H,6,7,8).
What are the key properties of 1-hydrazinylpropane-1-sulfonic acid?
1-hydrazinylpropane-1-sulfonic acid has a molecular weight of 154.19 g/mol, XLogP of -0.93, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydrazinylpropane-1-sulfonic acid is sourced from PubChem (CID 15566458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).