(4S)-3,4-dimethyloxathiazolidine 2-oxide

C4H9NO2S — CID 139431906

IUPAC(4S)-3,4-dimethyloxathiazolidine 2-oxide
SMILESC[C@H]1COS(=O)N1C
InChIInChI=1S/C4H9NO2S/c1-4-3-7-8(6)5(4)2/h4H,3H2,1-2H3/t4-,8?/m0/s1
InChIKeyNBMDSQKUQXCXJV-WSAWMEMJSA-N
MW135.19 g/mol
LogP-0.08
Rot. Bonds

About (4S)-3,4-dimethyloxathiazolidine 2-oxide

(4S)-3,4-dimethyloxathiazolidine 2-oxide (PubChem CID 139431906) has the molecular formula C4H9NO2S and a molecular weight of 135.19 g/mol. Its IUPAC name is (4S)-3,4-dimethyloxathiazolidine 2-oxide.

Molecular Properties

Compound Name(4S)-3,4-dimethyloxathiazolidine 2-oxide
PubChem CID139431906
Molecular FormulaC4H9NO2S
Molecular Weight135.19 g/mol
Exact Mass135.04
IUPAC Name(4S)-3,4-dimethyloxathiazolidine 2-oxide
SMILESC[C@H]1COS(=O)N1C
InChIInChI=1S/C4H9NO2S/c1-4-3-7-8(6)5(4)2/h4H,3H2,1-2H3/t4-,8?/m0/s1
InChIKeyNBMDSQKUQXCXJV-WSAWMEMJSA-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

Analyze (4S)-3,4-dimethyloxathiazolidine 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 (4S)-3,4-dimethyloxathiazolidine 2-oxide?
The IUPAC name of (4S)-3,4-dimethyloxathiazolidine 2-oxide (CID 139431906) is (4S)-3,4-dimethyloxathiazolidine 2-oxide.
What is the SMILES notation for (4S)-3,4-dimethyloxathiazolidine 2-oxide?
The canonical SMILES for (4S)-3,4-dimethyloxathiazolidine 2-oxide is C[C@H]1COS(=O)N1C.
What is the InChIKey of (4S)-3,4-dimethyloxathiazolidine 2-oxide?
The InChIKey is NBMDSQKUQXCXJV-WSAWMEMJSA-N. The full InChI is InChI=1S/C4H9NO2S/c1-4-3-7-8(6)5(4)2/h4H,3H2,1-2H3/t4-,8?/m0/s1.
What are the key properties of (4S)-3,4-dimethyloxathiazolidine 2-oxide?
(4S)-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 (4S)-3,4-dimethyloxathiazolidine 2-oxide is sourced from PubChem (CID 139431906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).