3,5-dimethyloxathiazolidine 2,2-dioxide

C4H9NO3S — CID 59882540

IUPAC3,5-dimethyloxathiazolidine 2,2-dioxide
SMILESCC1CN(C)S(=O)(=O)O1
InChIInChI=1S/C4H9NO3S/c1-4-3-5(2)9(6,7)8-4/h4H,3H2,1-2H3
InChIKeyOHGDLXAZVKGOCN-UHFFFAOYSA-N
MW151.19 g/mol
LogP-0.42
Rot. Bonds

About 3,5-dimethyloxathiazolidine 2,2-dioxide

3,5-dimethyloxathiazolidine 2,2-dioxide (PubChem CID 59882540) has the molecular formula C4H9NO3S and a molecular weight of 151.19 g/mol. Its IUPAC name is 3,5-dimethyloxathiazolidine 2,2-dioxide.

Molecular Properties

Compound Name3,5-dimethyloxathiazolidine 2,2-dioxide
PubChem CID59882540
Molecular FormulaC4H9NO3S
Molecular Weight151.19 g/mol
Exact Mass151.03
IUPAC Name3,5-dimethyloxathiazolidine 2,2-dioxide
SMILESCC1CN(C)S(=O)(=O)O1
InChIInChI=1S/C4H9NO3S/c1-4-3-5(2)9(6,7)8-4/h4H,3H2,1-2H3
InChIKeyOHGDLXAZVKGOCN-UHFFFAOYSA-N
XLogP-0.42
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.19
LogP ≤ 5-0.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Methoxypyrrolidine-1-sulfonyl chloride
CID 103532002
3,5,5-Trimethyloxathiazolidine 2,2-dioxide
CID 58319550
3,5-Dimethyloxathiazolidine 2-oxide
CID 59882530
3-Ethyl-1,2,3-oxathiazolidine 2,2-dioxide
CID 72207526
3,4,5-Trimethyloxathiazolidine 2,2-dioxide
CID 88866502
(5R)-3-ethyl-5-methyloxathiazolidine 2,2-dioxide
CID 89168351
5-Ethynyl-3-methyloxathiazolidine 2,2-dioxide
CID 89445783
(5S)-3-ethyl-5-methyloxathiazolidine 2,2-dioxide
CID 89615968
3,4-Dimethyloxathiazolidine 2,2-dioxide
CID 122469980
(4S)-3,4-dimethyloxathiazolidine 2,2-dioxide
CID 139431994
(R)-3-(Methoxy-d3)pyrrolidine-1-sulfonyl chloride
CID 165149854
(3R)-3-methoxypyrrolidine-1-sulfonyl chloride
CID 165149856

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyloxathiazolidine 2,2-dioxide?
The IUPAC name of 3,5-dimethyloxathiazolidine 2,2-dioxide (CID 59882540) is 3,5-dimethyloxathiazolidine 2,2-dioxide.
What is the SMILES notation for 3,5-dimethyloxathiazolidine 2,2-dioxide?
The canonical SMILES for 3,5-dimethyloxathiazolidine 2,2-dioxide is CC1CN(C)S(=O)(=O)O1.
What is the InChIKey of 3,5-dimethyloxathiazolidine 2,2-dioxide?
The InChIKey is OHGDLXAZVKGOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO3S/c1-4-3-5(2)9(6,7)8-4/h4H,3H2,1-2H3.
What are the key properties of 3,5-dimethyloxathiazolidine 2,2-dioxide?
3,5-dimethyloxathiazolidine 2,2-dioxide has a molecular weight of 151.19 g/mol, XLogP of -0.42, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyloxathiazolidine 2,2-dioxide is sourced from PubChem (CID 59882540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).