3,4,5-trimethyloxathiazolidine 2,2-dioxide

C5H11NO3S — CID 88866502

IUPAC3,4,5-trimethyloxathiazolidine 2,2-dioxide
SMILESCC1OS(=O)(=O)N(C)C1C
InChIInChI=1S/C5H11NO3S/c1-4-5(2)9-10(7,8)6(4)3/h4-5H,1-3H3
InChIKeyDNSPMYKQVCAUIM-UHFFFAOYSA-N
MW165.21 g/mol
LogP-0.03
Rot. Bonds

About 3,4,5-trimethyloxathiazolidine 2,2-dioxide

3,4,5-trimethyloxathiazolidine 2,2-dioxide (PubChem CID 88866502) has the molecular formula C5H11NO3S and a molecular weight of 165.21 g/mol. Its IUPAC name is 3,4,5-trimethyloxathiazolidine 2,2-dioxide.

Molecular Properties

Compound Name3,4,5-trimethyloxathiazolidine 2,2-dioxide
PubChem CID88866502
Molecular FormulaC5H11NO3S
Molecular Weight165.21 g/mol
Exact Mass165.05
IUPAC Name3,4,5-trimethyloxathiazolidine 2,2-dioxide
SMILESCC1OS(=O)(=O)N(C)C1C
InChIInChI=1S/C5H11NO3S/c1-4-5(2)9-10(7,8)6(4)3/h4-5H,1-3H3
InChIKeyDNSPMYKQVCAUIM-UHFFFAOYSA-N
XLogP-0.03
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.21
LogP ≤ 5-0.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3,4,5-trimethyloxathiazolidine 2,2-dioxide 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 3,4,5-trimethyloxathiazolidine 2,2-dioxide?
The IUPAC name of 3,4,5-trimethyloxathiazolidine 2,2-dioxide (CID 88866502) is 3,4,5-trimethyloxathiazolidine 2,2-dioxide.
What is the SMILES notation for 3,4,5-trimethyloxathiazolidine 2,2-dioxide?
The canonical SMILES for 3,4,5-trimethyloxathiazolidine 2,2-dioxide is CC1OS(=O)(=O)N(C)C1C.
What is the InChIKey of 3,4,5-trimethyloxathiazolidine 2,2-dioxide?
The InChIKey is DNSPMYKQVCAUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3S/c1-4-5(2)9-10(7,8)6(4)3/h4-5H,1-3H3.
What are the key properties of 3,4,5-trimethyloxathiazolidine 2,2-dioxide?
3,4,5-trimethyloxathiazolidine 2,2-dioxide has a molecular weight of 165.21 g/mol, XLogP of -0.03, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethyloxathiazolidine 2,2-dioxide is sourced from PubChem (CID 88866502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).