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

C7H15NO3S — CID 76531655

IUPAC3,4-dimethyl-4-propan-2-yloxathiazolidine 2,2-dioxide
SMILESCC(C)C1(C)COS(=O)(=O)N1C
InChIInChI=1S/C7H15NO3S/c1-6(2)7(3)5-11-12(9,10)8(7)4/h6H,5H2,1-4H3
InChIKeyAKVXIMVFLOGGMF-UHFFFAOYSA-N
MW193.27 g/mol
LogP0.61
Rot. Bonds1

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

3,4-dimethyl-4-propan-2-yloxathiazolidine 2,2-dioxide (PubChem CID 76531655) has the molecular formula C7H15NO3S and a molecular weight of 193.27 g/mol. Its IUPAC name is 3,4-dimethyl-4-propan-2-yloxathiazolidine 2,2-dioxide.

Molecular Properties

Compound Name3,4-dimethyl-4-propan-2-yloxathiazolidine 2,2-dioxide
PubChem CID76531655
Molecular FormulaC7H15NO3S
Molecular Weight193.27 g/mol
Exact Mass193.08
IUPAC Name3,4-dimethyl-4-propan-2-yloxathiazolidine 2,2-dioxide
SMILESCC(C)C1(C)COS(=O)(=O)N1C
InChIInChI=1S/C7H15NO3S/c1-6(2)7(3)5-11-12(9,10)8(7)4/h6H,5H2,1-4H3
InChIKeyAKVXIMVFLOGGMF-UHFFFAOYSA-N
XLogP0.61
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-4-propan-2-yloxathiazolidine 2,2-dioxide?
The IUPAC name of 3,4-dimethyl-4-propan-2-yloxathiazolidine 2,2-dioxide (CID 76531655) is 3,4-dimethyl-4-propan-2-yloxathiazolidine 2,2-dioxide.
What is the SMILES notation for 3,4-dimethyl-4-propan-2-yloxathiazolidine 2,2-dioxide?
The canonical SMILES for 3,4-dimethyl-4-propan-2-yloxathiazolidine 2,2-dioxide is CC(C)C1(C)COS(=O)(=O)N1C.
What is the InChIKey of 3,4-dimethyl-4-propan-2-yloxathiazolidine 2,2-dioxide?
The InChIKey is AKVXIMVFLOGGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3S/c1-6(2)7(3)5-11-12(9,10)8(7)4/h6H,5H2,1-4H3.
What are the key properties of 3,4-dimethyl-4-propan-2-yloxathiazolidine 2,2-dioxide?
3,4-dimethyl-4-propan-2-yloxathiazolidine 2,2-dioxide has a molecular weight of 193.27 g/mol, XLogP of 0.61, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-4-propan-2-yloxathiazolidine 2,2-dioxide is sourced from PubChem (CID 76531655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).