Tiopronin

C₅H₉NO₃S — CID 5483

About Tiopronin

Tiopronin (PubChem CID 5483) has the molecular formula C₅H₉NO₃S and a molecular weight of 163.20 g/mol. Its IUPAC name is 2-(2-sulfanylpropanoylamino)acetic acid.

Molecular Properties

• Compound Name: Tiopronin
• PubChem CID: 5483
• Molecular Formula: C₅H₉NO₃S
• Molecular Weight: 163.20 g/mol
• Exact Mass: 163.03
• IUPAC Name: 2-(2-sulfanylpropanoylamino)acetic acid
• SMILES: CC(S)C(=O)NCC(=O)O
• InChI: InChI=1S/C5H9NO3S/c1-3(10)5(9)6-2-4(7)8/h3,10H,2H2,1H3,(H,6,9)(H,7,8)
• InChIKey: YTGJWQPHMWSCST-UHFFFAOYSA-N
• XLogP: -0.49
• TPSA: 66.40 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 10
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	163.20
LogP ≤ 5	-0.49
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Tiopronin?

The IUPAC name of Tiopronin (CID 5483) is 2-(2-sulfanylpropanoylamino)acetic acid.

What is the SMILES notation for Tiopronin?

The canonical SMILES for Tiopronin is CC(S)C(=O)NCC(=O)O.

What is the InChIKey of Tiopronin?

The InChIKey is YTGJWQPHMWSCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO3S/c1-3(10)5(9)6-2-4(7)8/h3,10H,2H2,1H3,(H,6,9)(H,7,8).

What are the key properties of Tiopronin?

Tiopronin has a molecular weight of 163.20 g/mol, XLogP of -0.49, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Tiopronin is sourced from PubChem (CID 5483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 5483 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 2676 — approved-drug record (CC BY-SA 4.0)

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