1,3-oxazolidine-2-sulfinate

C3H6NO3S- — CID 66657154

IUPAC1,3-oxazolidine-2-sulfinate
SMILESO=S([O-])C1NCCO1
InChIInChI=1S/C3H7NO3S/c5-8(6)3-4-1-2-7-3/h3-4H,1-2H2,(H,5,6)/p-1
InChIKeyPVODWONIKYQHTC-UHFFFAOYSA-M
MW136.15 g/mol
LogP-1.23
Rot. Bonds1

About 1,3-oxazolidine-2-sulfinate

1,3-oxazolidine-2-sulfinate (PubChem CID 66657154) has the molecular formula C3H6NO3S- and a molecular weight of 136.15 g/mol. Its IUPAC name is 1,3-oxazolidine-2-sulfinate.

Molecular Properties

Compound Name1,3-oxazolidine-2-sulfinate
PubChem CID66657154
Molecular FormulaC3H6NO3S-
Molecular Weight136.15 g/mol
Exact Mass136.01
IUPAC Name1,3-oxazolidine-2-sulfinate
SMILESO=S([O-])C1NCCO1
InChIInChI=1S/C3H7NO3S/c5-8(6)3-4-1-2-7-3/h3-4H,1-2H2,(H,5,6)/p-1
InChIKeyPVODWONIKYQHTC-UHFFFAOYSA-M
XLogP-1.23
TPSA61.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 5-1.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Thiooxazolidine
CID 21248213
Sulfo nyloxazolidine
CID 22439278
1,3-Oxazolidine-2-sulfonyl fluoride
CID 140907686
1,3-Oxazolidine-2-sulfonamide
CID 130408284
1,3-Oxazolidine-2-sulfonic acid
CID 150536810
2-Sulfinyl-1,3-oxazolidine
CID 55288396
1,3-Oxazolidine-2-sulfinic acid
CID 66657155

Frequently Asked Questions

What is the IUPAC name of 1,3-oxazolidine-2-sulfinate?
The IUPAC name of 1,3-oxazolidine-2-sulfinate (CID 66657154) is 1,3-oxazolidine-2-sulfinate.
What is the SMILES notation for 1,3-oxazolidine-2-sulfinate?
The canonical SMILES for 1,3-oxazolidine-2-sulfinate is O=S([O-])C1NCCO1.
What is the InChIKey of 1,3-oxazolidine-2-sulfinate?
The InChIKey is PVODWONIKYQHTC-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H7NO3S/c5-8(6)3-4-1-2-7-3/h3-4H,1-2H2,(H,5,6)/p-1.
What are the key properties of 1,3-oxazolidine-2-sulfinate?
1,3-oxazolidine-2-sulfinate has a molecular weight of 136.15 g/mol, XLogP of -1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-oxazolidine-2-sulfinate is sourced from PubChem (CID 66657154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).