triazolidine-4-sulfonic acid

C2H7N3O3S — CID 174455410

IUPACtriazolidine-4-sulfonic acid
SMILESO=S(=O)(O)C1CNNN1
InChIInChI=1S/C2H7N3O3S/c6-9(7,8)2-1-3-5-4-2/h2-5H,1H2,(H,6,7,8)
InChIKeyLGNKJLFHZNRJBN-UHFFFAOYSA-N
MW153.16 g/mol
LogP-2.19
Rot. Bonds1

About triazolidine-4-sulfonic acid

triazolidine-4-sulfonic acid (PubChem CID 174455410) has the molecular formula C2H7N3O3S and a molecular weight of 153.16 g/mol. Its IUPAC name is triazolidine-4-sulfonic acid.

Molecular Properties

Compound Nametriazolidine-4-sulfonic acid
PubChem CID174455410
Molecular FormulaC2H7N3O3S
Molecular Weight153.16 g/mol
Exact Mass153.02
IUPAC Nametriazolidine-4-sulfonic acid
SMILESO=S(=O)(O)C1CNNN1
InChIInChI=1S/C2H7N3O3S/c6-9(7,8)2-1-3-5-4-2/h2-5H,1H2,(H,6,7,8)
InChIKeyLGNKJLFHZNRJBN-UHFFFAOYSA-N
XLogP-2.19
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.16
LogP ≤ 5-2.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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 triazolidine-4-sulfonic acid?
The IUPAC name of triazolidine-4-sulfonic acid (CID 174455410) is triazolidine-4-sulfonic acid.
What is the SMILES notation for triazolidine-4-sulfonic acid?
The canonical SMILES for triazolidine-4-sulfonic acid is O=S(=O)(O)C1CNNN1.
What is the InChIKey of triazolidine-4-sulfonic acid?
The InChIKey is LGNKJLFHZNRJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7N3O3S/c6-9(7,8)2-1-3-5-4-2/h2-5H,1H2,(H,6,7,8).
What are the key properties of triazolidine-4-sulfonic acid?
triazolidine-4-sulfonic acid has a molecular weight of 153.16 g/mol, XLogP of -2.19, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for triazolidine-4-sulfonic acid is sourced from PubChem (CID 174455410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).