3-oxidooxathiazolidine

C2H4NO2S- — CID 87625341

IUPAC3-oxidooxathiazolidine
SMILES[O-]N1CCOS1
InChIInChI=1S/C2H4NO2S/c4-3-1-2-5-6-3/h1-2H2/q-1
InChIKeyCQPRSIMNCGOQSU-UHFFFAOYSA-N
MW106.13 g/mol
LogP0.38
Rot. Bonds

About 3-oxidooxathiazolidine

3-oxidooxathiazolidine (PubChem CID 87625341) has the molecular formula C2H4NO2S- and a molecular weight of 106.13 g/mol. Its IUPAC name is 3-oxidooxathiazolidine.

Molecular Properties

Compound Name3-oxidooxathiazolidine
PubChem CID87625341
Molecular FormulaC2H4NO2S-
Molecular Weight106.13 g/mol
Exact Mass106.00
IUPAC Name3-oxidooxathiazolidine
SMILES[O-]N1CCOS1
InChIInChI=1S/C2H4NO2S/c4-3-1-2-5-6-3/h1-2H2/q-1
InChIKeyCQPRSIMNCGOQSU-UHFFFAOYSA-N
XLogP0.38
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.13
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethoxy oxathiazolidine
CID 163360065
2-Sulfanylidene-1,2-oxazolidin-2-ium
CID 69050831
3-Oxidooxathiazolidin-3-ium
CID 87625340
Oxathiazolidin-3-ium 3-oxide
CID 91158302
3,3-Dioxidooxathiazolidin-3-ium
CID 122469846
2-Sulfanyl-1,2-oxazolidine
CID 140092565
Methylidene(oxathiazolidin-3-yloxy)borane
CID 174062330
3-Hydroxy-3-oxidooxathiazolidin-3-ium
CID 122469847
3-Oxidodioxazolidine
CID 173014127

Frequently Asked Questions

What is the IUPAC name of 3-oxidooxathiazolidine?
The IUPAC name of 3-oxidooxathiazolidine (CID 87625341) is 3-oxidooxathiazolidine.
What is the SMILES notation for 3-oxidooxathiazolidine?
The canonical SMILES for 3-oxidooxathiazolidine is [O-]N1CCOS1.
What is the InChIKey of 3-oxidooxathiazolidine?
The InChIKey is CQPRSIMNCGOQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4NO2S/c4-3-1-2-5-6-3/h1-2H2/q-1.
What are the key properties of 3-oxidooxathiazolidine?
3-oxidooxathiazolidine has a molecular weight of 106.13 g/mol, XLogP of 0.38, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxidooxathiazolidine is sourced from PubChem (CID 87625341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).