(4R)-3,4-dimethyl-4-propan-2-yloxathiazolidine 2,2-dioxide

C7H15NO3S — CID 58432628

IUPAC(4R)-3,4-dimethyl-4-propan-2-yloxathiazolidine 2,2-dioxide
SMILESCC(C)[C@]1(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/t7-/m0/s1
InChIKeyAKVXIMVFLOGGMF-ZETCQYMHSA-N
MW193.27 g/mol
LogP0.61
Rot. Bonds1

About (4R)-3,4-dimethyl-4-propan-2-yloxathiazolidine 2,2-dioxide

(4R)-3,4-dimethyl-4-propan-2-yloxathiazolidine 2,2-dioxide (PubChem CID 58432628) has the molecular formula C7H15NO3S and a molecular weight of 193.27 g/mol. Its IUPAC name is (4R)-3,4-dimethyl-4-propan-2-yloxathiazolidine 2,2-dioxide.

Molecular Properties

Compound Name(4R)-3,4-dimethyl-4-propan-2-yloxathiazolidine 2,2-dioxide
PubChem CID58432628
Molecular FormulaC7H15NO3S
Molecular Weight193.27 g/mol
Exact Mass193.08
IUPAC Name(4R)-3,4-dimethyl-4-propan-2-yloxathiazolidine 2,2-dioxide
SMILESCC(C)[C@]1(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/t7-/m0/s1
InChIKeyAKVXIMVFLOGGMF-ZETCQYMHSA-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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Related Compounds

(4R)-4-tert-butyl-3,4-dimethyloxathiazolidine 2,2-dioxide
CID 58432641
(4R)-4-tert-butyl-3,4-dimethyloxathiazolidine 2-oxide
CID 58432642
(4R)-3,4-dimethyl-4-propan-2-yloxathiazolidine 2-oxide
CID 58432701
3,4,4-Trimethyloxathiazolidine 2,2-dioxide
CID 59840939
3-Methyl-4-propan-2-yloxathiazolidine 2,2-dioxide
CID 74320445
3,4-Dimethyl-4-propan-2-yloxathiazolidine 2,2-dioxide
CID 76531655
4-Tert-butyl-3,4-dimethyloxathiazolidine 2,2-dioxide
CID 76784597
4-Tert-butyl-3,4-dimethyloxathiazolidine 2-oxide
CID 76784598
3,4-Dimethyl-4-propan-2-yloxathiazolidine 2-oxide
CID 76784631
(4R)-3,4-dimethyl-4-propan-2-yloxathiazolidine
CID 91191590
(4R)-3-methyl-4-propan-2-yloxathiazolidine 2,2-dioxide
CID 164055969
(4S)-3-methyl-4-propan-2-yloxathiazolidine 2,2-dioxide
CID 24805754

Frequently Asked Questions

What is the IUPAC name of (4R)-3,4-dimethyl-4-propan-2-yloxathiazolidine 2,2-dioxide?
The IUPAC name of (4R)-3,4-dimethyl-4-propan-2-yloxathiazolidine 2,2-dioxide (CID 58432628) is (4R)-3,4-dimethyl-4-propan-2-yloxathiazolidine 2,2-dioxide.
What is the SMILES notation for (4R)-3,4-dimethyl-4-propan-2-yloxathiazolidine 2,2-dioxide?
The canonical SMILES for (4R)-3,4-dimethyl-4-propan-2-yloxathiazolidine 2,2-dioxide is CC(C)[C@]1(C)COS(=O)(=O)N1C.
What is the InChIKey of (4R)-3,4-dimethyl-4-propan-2-yloxathiazolidine 2,2-dioxide?
The InChIKey is AKVXIMVFLOGGMF-ZETCQYMHSA-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/t7-/m0/s1.
What are the key properties of (4R)-3,4-dimethyl-4-propan-2-yloxathiazolidine 2,2-dioxide?
(4R)-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 (4R)-3,4-dimethyl-4-propan-2-yloxathiazolidine 2,2-dioxide is sourced from PubChem (CID 58432628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).