3,4-dimethyloxathiazolidine 2,2-dioxide

C4H9NO3S — CID 122469980

IUPAC3,4-dimethyloxathiazolidine 2,2-dioxide
SMILESCC1COS(=O)(=O)N1C
InChIInChI=1S/C4H9NO3S/c1-4-3-8-9(6,7)5(4)2/h4H,3H2,1-2H3
InChIKeyXSWGHGSUCLONMS-UHFFFAOYSA-N
MW151.19 g/mol
LogP-0.42
Rot. Bonds

About 3,4-dimethyloxathiazolidine 2,2-dioxide

3,4-dimethyloxathiazolidine 2,2-dioxide (PubChem CID 122469980) has the molecular formula C4H9NO3S and a molecular weight of 151.19 g/mol. Its IUPAC name is 3,4-dimethyloxathiazolidine 2,2-dioxide.

Molecular Properties

Compound Name3,4-dimethyloxathiazolidine 2,2-dioxide
PubChem CID122469980
Molecular FormulaC4H9NO3S
Molecular Weight151.19 g/mol
Exact Mass151.03
IUPAC Name3,4-dimethyloxathiazolidine 2,2-dioxide
SMILESCC1COS(=O)(=O)N1C
InChIInChI=1S/C4H9NO3S/c1-4-3-8-9(6,7)5(4)2/h4H,3H2,1-2H3
InChIKeyXSWGHGSUCLONMS-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

3,4-Dimethyloxathiazolidine
CID 21909216
3,4,4-Trimethyloxathiazolidine 2,2-dioxide
CID 59840939
3,5-Dimethyloxathiazolidine 2,2-dioxide
CID 59882540
3-Ethyl-1,2,3-oxathiazolidine 2,2-dioxide
CID 72207526
3-Methyl-4-propan-2-yloxathiazolidine 2,2-dioxide
CID 74320445
3,4,5-Trimethyloxathiazolidine 2,2-dioxide
CID 88866502
4-Ethynyl-3-methyloxathiazolidine 2,2-dioxide
CID 88889576
3-Tert-butyloxathiazolidine 2-oxide
CID 119098757
4-(Methoxymethyl)-3-methyloxathiazolidine
CID 129136472
(4S)-3,4-dimethyloxathiazolidine 2-oxide
CID 139431906
(4S)-3,4-dimethyloxathiazolidine 2,2-dioxide
CID 139431994
3-Propan-2-yloxathiazolidine 2-oxide
CID 146267337

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyloxathiazolidine 2,2-dioxide?
The IUPAC name of 3,4-dimethyloxathiazolidine 2,2-dioxide (CID 122469980) is 3,4-dimethyloxathiazolidine 2,2-dioxide.
What is the SMILES notation for 3,4-dimethyloxathiazolidine 2,2-dioxide?
The canonical SMILES for 3,4-dimethyloxathiazolidine 2,2-dioxide is CC1COS(=O)(=O)N1C.
What is the InChIKey of 3,4-dimethyloxathiazolidine 2,2-dioxide?
The InChIKey is XSWGHGSUCLONMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO3S/c1-4-3-8-9(6,7)5(4)2/h4H,3H2,1-2H3.
What are the key properties of 3,4-dimethyloxathiazolidine 2,2-dioxide?
3,4-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 3,4-dimethyloxathiazolidine 2,2-dioxide is sourced from PubChem (CID 122469980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).