4-tert-butyl-3,4-dimethyloxathiazolidine 2-oxide

C8H17NO2S — CID 76784598

IUPAC4-tert-butyl-3,4-dimethyloxathiazolidine 2-oxide
SMILESCN1S(=O)OCC1(C)C(C)(C)C
InChIInChI=1S/C8H17NO2S/c1-7(2,3)8(4)6-11-12(10)9(8)5/h6H2,1-5H3
InChIKeyXUQAHZVETYJUOV-UHFFFAOYSA-N
MW191.30 g/mol
LogP1.33
Rot. Bonds

About 4-tert-butyl-3,4-dimethyloxathiazolidine 2-oxide

4-tert-butyl-3,4-dimethyloxathiazolidine 2-oxide (PubChem CID 76784598) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is 4-tert-butyl-3,4-dimethyloxathiazolidine 2-oxide.

Molecular Properties

Compound Name4-tert-butyl-3,4-dimethyloxathiazolidine 2-oxide
PubChem CID76784598
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Name4-tert-butyl-3,4-dimethyloxathiazolidine 2-oxide
SMILESCN1S(=O)OCC1(C)C(C)(C)C
InChIInChI=1S/C8H17NO2S/c1-7(2,3)8(4)6-11-12(10)9(8)5/h6H2,1-5H3
InChIKeyXUQAHZVETYJUOV-UHFFFAOYSA-N
XLogP1.33
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3,4-dimethyloxathiazolidine 2-oxide?
The IUPAC name of 4-tert-butyl-3,4-dimethyloxathiazolidine 2-oxide (CID 76784598) is 4-tert-butyl-3,4-dimethyloxathiazolidine 2-oxide.
What is the SMILES notation for 4-tert-butyl-3,4-dimethyloxathiazolidine 2-oxide?
The canonical SMILES for 4-tert-butyl-3,4-dimethyloxathiazolidine 2-oxide is CN1S(=O)OCC1(C)C(C)(C)C.
What is the InChIKey of 4-tert-butyl-3,4-dimethyloxathiazolidine 2-oxide?
The InChIKey is XUQAHZVETYJUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-7(2,3)8(4)6-11-12(10)9(8)5/h6H2,1-5H3.
What are the key properties of 4-tert-butyl-3,4-dimethyloxathiazolidine 2-oxide?
4-tert-butyl-3,4-dimethyloxathiazolidine 2-oxide has a molecular weight of 191.30 g/mol, XLogP of 1.33, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-3,4-dimethyloxathiazolidine 2-oxide is sourced from PubChem (CID 76784598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).