1,3-Oxazolidine-2-sulfonic acid

C₃H₇NO₄S — CID 150536810

About 1,3-Oxazolidine-2-sulfonic acid

1,3-Oxazolidine-2-sulfonic acid (PubChem CID 150536810) has the molecular formula C₃H₇NO₄S and a molecular weight of 153.16 g/mol. Its IUPAC name is 1,3-oxazolidine-2-sulfonic acid.

Molecular Properties

• Compound Name: 1,3-Oxazolidine-2-sulfonic acid
• PubChem CID: 150536810
• Molecular Formula: C₃H₇NO₄S
• Molecular Weight: 153.16 g/mol
• Exact Mass: 153.01
• IUPAC Name: 1,3-oxazolidine-2-sulfonic acid
• SMILES: O=S(=O)(O)C1NCCO1
• InChI: InChI=1S/C3H7NO4S/c5-9(6,7)3-4-1-2-8-3/h3-4H,1-2H2,(H,5,6,7)
• InChIKey: IEZZAEZJSLAETG-UHFFFAOYSA-N
• XLogP: -1.22
• TPSA: 75.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 1
• Heavy Atoms: 9
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	153.16
LogP ≤ 5	-1.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,3-Oxazolidine-2-sulfonic acid?

The IUPAC name of 1,3-Oxazolidine-2-sulfonic acid (CID 150536810) is 1,3-oxazolidine-2-sulfonic acid.

What is the SMILES notation for 1,3-Oxazolidine-2-sulfonic acid?

The canonical SMILES for 1,3-Oxazolidine-2-sulfonic acid is O=S(=O)(O)C1NCCO1.

What is the InChIKey of 1,3-Oxazolidine-2-sulfonic acid?

The InChIKey is IEZZAEZJSLAETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO4S/c5-9(6,7)3-4-1-2-8-3/h3-4H,1-2H2,(H,5,6,7).

What are the key properties of 1,3-Oxazolidine-2-sulfonic acid?

1,3-Oxazolidine-2-sulfonic acid has a molecular weight of 153.16 g/mol, XLogP of -1.22, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-Oxazolidine-2-sulfonic acid is sourced from PubChem (CID 150536810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 150536810 — identifiers, structure, computed properties (public domain)

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