3-ethoxyoxathiazolidine

C4H9NO2S — CID 163360065

IUPAC3-ethoxyoxathiazolidine
SMILESCCON1CCOS1
InChIInChI=1S/C4H9NO2S/c1-2-6-5-3-4-7-8-5/h2-4H2,1H3
InChIKeyJOLQFOQMVRVFBQ-UHFFFAOYSA-N
MW135.19 g/mol
LogP0.83
Rot. Bonds2

About 3-ethoxyoxathiazolidine

3-ethoxyoxathiazolidine (PubChem CID 163360065) has the molecular formula C4H9NO2S and a molecular weight of 135.19 g/mol. Its IUPAC name is 3-ethoxyoxathiazolidine.

Molecular Properties

Compound Name3-ethoxyoxathiazolidine
PubChem CID163360065
Molecular FormulaC4H9NO2S
Molecular Weight135.19 g/mol
Exact Mass135.04
IUPAC Name3-ethoxyoxathiazolidine
SMILESCCON1CCOS1
InChIInChI=1S/C4H9NO2S/c1-2-6-5-3-4-7-8-5/h2-4H2,1H3
InChIKeyJOLQFOQMVRVFBQ-UHFFFAOYSA-N
XLogP0.83
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.19
LogP ≤ 50.83
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'}

Analyze 3-ethoxyoxathiazolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethoxyoxathiazolidine?
The IUPAC name of 3-ethoxyoxathiazolidine (CID 163360065) is 3-ethoxyoxathiazolidine.
What is the SMILES notation for 3-ethoxyoxathiazolidine?
The canonical SMILES for 3-ethoxyoxathiazolidine is CCON1CCOS1.
What is the InChIKey of 3-ethoxyoxathiazolidine?
The InChIKey is JOLQFOQMVRVFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2S/c1-2-6-5-3-4-7-8-5/h2-4H2,1H3.
What are the key properties of 3-ethoxyoxathiazolidine?
3-ethoxyoxathiazolidine has a molecular weight of 135.19 g/mol, XLogP of 0.83, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxyoxathiazolidine is sourced from PubChem (CID 163360065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).