2-sulfinyl-1,3-oxazolidine

C3H5NO2S — CID 55288396

IUPAC2-sulfinyl-1,3-oxazolidine
SMILESO=S=C1NCCO1
InChIInChI=1S/C3H5NO2S/c5-7-3-4-1-2-6-3/h4H,1-2H2
InChIKeyOQVZPEXCOZIUSW-UHFFFAOYSA-N
MW119.14 g/mol
LogP-1.09
Rot. Bonds

About 2-sulfinyl-1,3-oxazolidine

2-sulfinyl-1,3-oxazolidine (PubChem CID 55288396) has the molecular formula C3H5NO2S and a molecular weight of 119.14 g/mol. Its IUPAC name is 2-sulfinyl-1,3-oxazolidine.

Molecular Properties

Compound Name2-sulfinyl-1,3-oxazolidine
PubChem CID55288396
Molecular FormulaC3H5NO2S
Molecular Weight119.14 g/mol
Exact Mass119.00
IUPAC Name2-sulfinyl-1,3-oxazolidine
SMILESO=S=C1NCCO1
InChIInChI=1S/C3H5NO2S/c5-7-3-4-1-2-6-3/h4H,1-2H2
InChIKeyOQVZPEXCOZIUSW-UHFFFAOYSA-N
XLogP-1.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.14
LogP ≤ 5-1.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 2733223
CID 2733223
CID 22439278
CID 22439278
CID 22999678
CID 22999678
CID 66657154
CID 66657154
CID 87644914
CID 87644914
CID 150988711
CID 150988711

Frequently Asked Questions

What is the IUPAC name of 2-sulfinyl-1,3-oxazolidine?
The IUPAC name of 2-sulfinyl-1,3-oxazolidine (CID 55288396) is 2-sulfinyl-1,3-oxazolidine.
What is the SMILES notation for 2-sulfinyl-1,3-oxazolidine?
The canonical SMILES for 2-sulfinyl-1,3-oxazolidine is O=S=C1NCCO1.
What is the InChIKey of 2-sulfinyl-1,3-oxazolidine?
The InChIKey is OQVZPEXCOZIUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5NO2S/c5-7-3-4-1-2-6-3/h4H,1-2H2.
What are the key properties of 2-sulfinyl-1,3-oxazolidine?
2-sulfinyl-1,3-oxazolidine has a molecular weight of 119.14 g/mol, XLogP of -1.09, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfinyl-1,3-oxazolidine is sourced from PubChem (CID 55288396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).