1,3-Oxazolidine-5-sulfonic acid

C3H7NO4S — CID 174967179

IUPAC1,3-oxazolidine-5-sulfonic acid
SMILESO=S(=O)(O)C1CNCO1
InChIInChI=1S/C3H7NO4S/c5-9(6,7)3-1-4-2-8-3/h3-4H,1-2H2,(H,5,6,7)
InChIKeyKNEVQSRCQDHNEJ-UHFFFAOYSA-N
MW153.16 g/mol
LogP-1.22
Rot. Bonds1

About 1,3-Oxazolidine-5-sulfonic acid

1,3-Oxazolidine-5-sulfonic acid (PubChem CID 174967179) has the molecular formula C3H7NO4S and a molecular weight of 153.16 g/mol. Its IUPAC name is 1,3-oxazolidine-5-sulfonic acid.

Molecular Properties

Compound Name1,3-Oxazolidine-5-sulfonic acid
PubChem CID174967179
Molecular FormulaC3H7NO4S
Molecular Weight153.16 g/mol
Exact Mass153.01
IUPAC Name1,3-oxazolidine-5-sulfonic acid
SMILESO=S(=O)(O)C1CNCO1
InChIInChI=1S/C3H7NO4S/c5-9(6,7)3-1-4-2-8-3/h3-4H,1-2H2,(H,5,6,7)
InChIKeyKNEVQSRCQDHNEJ-UHFFFAOYSA-N
XLogP-1.22
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.16
LogP ≤ 5-1.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 1,3-Oxazolidine-5-sulfonic acid?
The IUPAC name of 1,3-Oxazolidine-5-sulfonic acid (CID 174967179) is 1,3-oxazolidine-5-sulfonic acid.
What is the SMILES notation for 1,3-Oxazolidine-5-sulfonic acid?
The canonical SMILES for 1,3-Oxazolidine-5-sulfonic acid is O=S(=O)(O)C1CNCO1.
What is the InChIKey of 1,3-Oxazolidine-5-sulfonic acid?
The InChIKey is KNEVQSRCQDHNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO4S/c5-9(6,7)3-1-4-2-8-3/h3-4H,1-2H2,(H,5,6,7).
What are the key properties of 1,3-Oxazolidine-5-sulfonic acid?
1,3-Oxazolidine-5-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-5-sulfonic acid is sourced from PubChem (CID 174967179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).