3-methyl-4-propan-2-yloxathiazolidine 2,2-dioxide

C6H13NO3S — CID 74320445

IUPAC3-methyl-4-propan-2-yloxathiazolidine 2,2-dioxide
SMILESCC(C)C1COS(=O)(=O)N1C
InChIInChI=1S/C6H13NO3S/c1-5(2)6-4-10-11(8,9)7(6)3/h5-6H,4H2,1-3H3
InChIKeyWCRYIFGVMAVGPD-UHFFFAOYSA-N
MW179.24 g/mol
LogP0.22
Rot. Bonds1

About 3-methyl-4-propan-2-yloxathiazolidine 2,2-dioxide

3-methyl-4-propan-2-yloxathiazolidine 2,2-dioxide (PubChem CID 74320445) has the molecular formula C6H13NO3S and a molecular weight of 179.24 g/mol. Its IUPAC name is 3-methyl-4-propan-2-yloxathiazolidine 2,2-dioxide.

Molecular Properties

Compound Name3-methyl-4-propan-2-yloxathiazolidine 2,2-dioxide
PubChem CID74320445
Molecular FormulaC6H13NO3S
Molecular Weight179.24 g/mol
Exact Mass179.06
IUPAC Name3-methyl-4-propan-2-yloxathiazolidine 2,2-dioxide
SMILESCC(C)C1COS(=O)(=O)N1C
InChIInChI=1S/C6H13NO3S/c1-5(2)6-4-10-11(8,9)7(6)3/h5-6H,4H2,1-3H3
InChIKeyWCRYIFGVMAVGPD-UHFFFAOYSA-N
XLogP0.22
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-Di(propan-2-yl)oxathiazolidine 2,2-dioxide
CID 58034041
(4R)-3,4-dimethyl-4-propan-2-yloxathiazolidine 2,2-dioxide
CID 58432628
(4R)-3,4-dimethyl-4-propan-2-yloxathiazolidine 2-oxide
CID 58432701
3,4-Dimethyl-4-propan-2-yloxathiazolidine 2,2-dioxide
CID 76531655
3,4-Dimethyl-4-propan-2-yloxathiazolidine 2-oxide
CID 76784631
3,4,5-Trimethyloxathiazolidine 2,2-dioxide
CID 88866502
3,4-Dimethyloxathiazolidine 2,2-dioxide
CID 122469980
(4S)-3,4-dimethyloxathiazolidine 2,2-dioxide
CID 139431994
Ethane;3-methyl-4-propan-2-yloxathiazolidine 2-oxide
CID 143941468
(4R)-3-methyl-4-propan-2-yloxathiazolidine 2,2-dioxide
CID 164055969
(4R)-3,4-dimethyloxathiazolidine 2,2-dioxide
CID 169823412
(4R)-3-tert-butyl-4-methyloxathiazolidine 2,2-dioxide
CID 175841872

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-propan-2-yloxathiazolidine 2,2-dioxide?
The IUPAC name of 3-methyl-4-propan-2-yloxathiazolidine 2,2-dioxide (CID 74320445) is 3-methyl-4-propan-2-yloxathiazolidine 2,2-dioxide.
What is the SMILES notation for 3-methyl-4-propan-2-yloxathiazolidine 2,2-dioxide?
The canonical SMILES for 3-methyl-4-propan-2-yloxathiazolidine 2,2-dioxide is CC(C)C1COS(=O)(=O)N1C.
What is the InChIKey of 3-methyl-4-propan-2-yloxathiazolidine 2,2-dioxide?
The InChIKey is WCRYIFGVMAVGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3S/c1-5(2)6-4-10-11(8,9)7(6)3/h5-6H,4H2,1-3H3.
What are the key properties of 3-methyl-4-propan-2-yloxathiazolidine 2,2-dioxide?
3-methyl-4-propan-2-yloxathiazolidine 2,2-dioxide has a molecular weight of 179.24 g/mol, XLogP of 0.22, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-propan-2-yloxathiazolidine 2,2-dioxide is sourced from PubChem (CID 74320445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).