3,4-dimethyloxathiazolidine 2-oxide

C4H9NO2S — CID 170727780

IUPAC3,4-dimethyloxathiazolidine 2-oxide
SMILESCC1COS(=O)N1C
InChIInChI=1S/C4H9NO2S/c1-4-3-7-8(6)5(4)2/h4H,3H2,1-2H3
InChIKeyNBMDSQKUQXCXJV-UHFFFAOYSA-N
MW135.19 g/mol
LogP-0.08
Rot. Bonds

About 3,4-dimethyloxathiazolidine 2-oxide

3,4-dimethyloxathiazolidine 2-oxide (PubChem CID 170727780) has the molecular formula C4H9NO2S and a molecular weight of 135.19 g/mol. Its IUPAC name is 3,4-dimethyloxathiazolidine 2-oxide.

Molecular Properties

Compound Name3,4-dimethyloxathiazolidine 2-oxide
PubChem CID170727780
Molecular FormulaC4H9NO2S
Molecular Weight135.19 g/mol
Exact Mass135.04
IUPAC Name3,4-dimethyloxathiazolidine 2-oxide
SMILESCC1COS(=O)N1C
InChIInChI=1S/C4H9NO2S/c1-4-3-7-8(6)5(4)2/h4H,3H2,1-2H3
InChIKeyNBMDSQKUQXCXJV-UHFFFAOYSA-N
XLogP-0.08
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.19
LogP ≤ 5-0.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyloxathiazolidine 2-oxide?
The IUPAC name of 3,4-dimethyloxathiazolidine 2-oxide (CID 170727780) is 3,4-dimethyloxathiazolidine 2-oxide.
What is the SMILES notation for 3,4-dimethyloxathiazolidine 2-oxide?
The canonical SMILES for 3,4-dimethyloxathiazolidine 2-oxide is CC1COS(=O)N1C.
What is the InChIKey of 3,4-dimethyloxathiazolidine 2-oxide?
The InChIKey is NBMDSQKUQXCXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2S/c1-4-3-7-8(6)5(4)2/h4H,3H2,1-2H3.
What are the key properties of 3,4-dimethyloxathiazolidine 2-oxide?
3,4-dimethyloxathiazolidine 2-oxide has a molecular weight of 135.19 g/mol, XLogP of -0.08, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyloxathiazolidine 2-oxide is sourced from PubChem (CID 170727780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).