3-tert-butyloxathiazolidine 2-oxide

C6H13NO2S — CID 119098757

IUPAC3-tert-butyloxathiazolidine 2-oxide
SMILESCC(C)(C)N1CCOS1=O
InChIInChI=1S/C6H13NO2S/c1-6(2,3)7-4-5-9-10(7)8/h4-5H2,1-3H3
InChIKeyBREOYNZCSYGJJC-UHFFFAOYSA-N
MW163.24 g/mol
LogP0.70
Rot. Bonds

About 3-tert-butyloxathiazolidine 2-oxide

3-tert-butyloxathiazolidine 2-oxide (PubChem CID 119098757) has the molecular formula C6H13NO2S and a molecular weight of 163.24 g/mol. Its IUPAC name is 3-tert-butyloxathiazolidine 2-oxide.

Molecular Properties

Compound Name3-tert-butyloxathiazolidine 2-oxide
PubChem CID119098757
Molecular FormulaC6H13NO2S
Molecular Weight163.24 g/mol
Exact Mass163.07
IUPAC Name3-tert-butyloxathiazolidine 2-oxide
SMILESCC(C)(C)N1CCOS1=O
InChIInChI=1S/C6H13NO2S/c1-6(2,3)7-4-5-9-10(7)8/h4-5H2,1-3H3
InChIKeyBREOYNZCSYGJJC-UHFFFAOYSA-N
XLogP0.70
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-tert-butyloxathiazolidine 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

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyloxathiazolidine 2-oxide?
The IUPAC name of 3-tert-butyloxathiazolidine 2-oxide (CID 119098757) is 3-tert-butyloxathiazolidine 2-oxide.
What is the SMILES notation for 3-tert-butyloxathiazolidine 2-oxide?
The canonical SMILES for 3-tert-butyloxathiazolidine 2-oxide is CC(C)(C)N1CCOS1=O.
What is the InChIKey of 3-tert-butyloxathiazolidine 2-oxide?
The InChIKey is BREOYNZCSYGJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2S/c1-6(2,3)7-4-5-9-10(7)8/h4-5H2,1-3H3.
What are the key properties of 3-tert-butyloxathiazolidine 2-oxide?
3-tert-butyloxathiazolidine 2-oxide has a molecular weight of 163.24 g/mol, XLogP of 0.70, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyloxathiazolidine 2-oxide is sourced from PubChem (CID 119098757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).