3,5,5-trimethyloxathiazolidine 2-oxide

C5H11NO2S — CID 58319545

IUPAC3,5,5-trimethyloxathiazolidine 2-oxide
SMILESCN1CC(C)(C)OS1=O
InChIInChI=1S/C5H11NO2S/c1-5(2)4-6(3)9(7)8-5/h4H2,1-3H3
InChIKeyWNGOHMKEBNGFPQ-UHFFFAOYSA-N
MW149.22 g/mol
LogP0.31
Rot. Bonds

About 3,5,5-trimethyloxathiazolidine 2-oxide

3,5,5-trimethyloxathiazolidine 2-oxide (PubChem CID 58319545) has the molecular formula C5H11NO2S and a molecular weight of 149.22 g/mol. Its IUPAC name is 3,5,5-trimethyloxathiazolidine 2-oxide.

Molecular Properties

Compound Name3,5,5-trimethyloxathiazolidine 2-oxide
PubChem CID58319545
Molecular FormulaC5H11NO2S
Molecular Weight149.22 g/mol
Exact Mass149.05
IUPAC Name3,5,5-trimethyloxathiazolidine 2-oxide
SMILESCN1CC(C)(C)OS1=O
InChIInChI=1S/C5H11NO2S/c1-5(2)4-6(3)9(7)8-5/h4H2,1-3H3
InChIKeyWNGOHMKEBNGFPQ-UHFFFAOYSA-N
XLogP0.31
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.22
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,5,5-trimethyloxathiazolidine 2-oxide with MolForge

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

Launch Full Analysis

Related Compounds

3,5,5-Trimethyloxathiazolidine 2,2-dioxide
CID 58319550
3,5-Dimethyloxathiazolidine 2-oxide
CID 59882530
3,5,5-Trimethyloxathiazolidine
CID 68324353

Frequently Asked Questions

What is the IUPAC name of 3,5,5-trimethyloxathiazolidine 2-oxide?
The IUPAC name of 3,5,5-trimethyloxathiazolidine 2-oxide (CID 58319545) is 3,5,5-trimethyloxathiazolidine 2-oxide.
What is the SMILES notation for 3,5,5-trimethyloxathiazolidine 2-oxide?
The canonical SMILES for 3,5,5-trimethyloxathiazolidine 2-oxide is CN1CC(C)(C)OS1=O.
What is the InChIKey of 3,5,5-trimethyloxathiazolidine 2-oxide?
The InChIKey is WNGOHMKEBNGFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2S/c1-5(2)4-6(3)9(7)8-5/h4H2,1-3H3.
What are the key properties of 3,5,5-trimethyloxathiazolidine 2-oxide?
3,5,5-trimethyloxathiazolidine 2-oxide has a molecular weight of 149.22 g/mol, XLogP of 0.31, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,5-trimethyloxathiazolidine 2-oxide is sourced from PubChem (CID 58319545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).