1,3-oxazolidine-2-sulfinic acid

C3H7NO3S — CID 66657155

IUPAC1,3-oxazolidine-2-sulfinic acid
SMILESO=S(O)C1NCCO1
InChIInChI=1S/C3H7NO3S/c5-8(6)3-4-1-2-7-3/h3-4H,1-2H2,(H,5,6)
InChIKeyPVODWONIKYQHTC-UHFFFAOYSA-N
MW137.16 g/mol
LogP-0.89
Rot. Bonds1

About 1,3-oxazolidine-2-sulfinic acid

1,3-oxazolidine-2-sulfinic acid (PubChem CID 66657155) has the molecular formula C3H7NO3S and a molecular weight of 137.16 g/mol. Its IUPAC name is 1,3-oxazolidine-2-sulfinic acid.

Molecular Properties

Compound Name1,3-oxazolidine-2-sulfinic acid
PubChem CID66657155
Molecular FormulaC3H7NO3S
Molecular Weight137.16 g/mol
Exact Mass137.01
IUPAC Name1,3-oxazolidine-2-sulfinic acid
SMILESO=S(O)C1NCCO1
InChIInChI=1S/C3H7NO3S/c5-8(6)3-4-1-2-7-3/h3-4H,1-2H2,(H,5,6)
InChIKeyPVODWONIKYQHTC-UHFFFAOYSA-N
XLogP-0.89
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.16
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,3-Oxazolidine-2-sulfonyl fluoride
CID 140907686
1,3-Oxazolidine-2-sulfinate
CID 66657154
1,3-Oxazolidine-2-sulfonamide
CID 130408284
1,3-Oxazolidine-2-sulfonic acid
CID 150536810
Methanesulfonic acid;1,3-oxazolidine
CID 159891854
1,3-Oxazolidine-5-sulfonic acid
CID 174967179

Frequently Asked Questions

What is the IUPAC name of 1,3-oxazolidine-2-sulfinic acid?
The IUPAC name of 1,3-oxazolidine-2-sulfinic acid (CID 66657155) is 1,3-oxazolidine-2-sulfinic acid.
What is the SMILES notation for 1,3-oxazolidine-2-sulfinic acid?
The canonical SMILES for 1,3-oxazolidine-2-sulfinic acid is O=S(O)C1NCCO1.
What is the InChIKey of 1,3-oxazolidine-2-sulfinic acid?
The InChIKey is PVODWONIKYQHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO3S/c5-8(6)3-4-1-2-7-3/h3-4H,1-2H2,(H,5,6).
What are the key properties of 1,3-oxazolidine-2-sulfinic acid?
1,3-oxazolidine-2-sulfinic acid has a molecular weight of 137.16 g/mol, XLogP of -0.89, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-oxazolidine-2-sulfinic acid is sourced from PubChem (CID 66657155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).