(4R,5S)-4-tert-butyl-5-methyloxathiazolidine 2,2-dioxide

C7H15NO3S — CID 166437201

IUPAC(4R,5S)-4-tert-butyl-5-methyloxathiazolidine 2,2-dioxide
SMILESC[C@@H]1OS(=O)(=O)N[C@@H]1C(C)(C)C
InChIInChI=1S/C7H15NO3S/c1-5-6(7(2,3)4)8-12(9,10)11-5/h5-6,8H,1-4H3/t5-,6-/m0/s1
InChIKeyIZDFGHPHNYPSGE-WDSKDSINSA-N
MW193.27 g/mol
LogP0.65
Rot. Bonds

About (4R,5S)-4-tert-butyl-5-methyloxathiazolidine 2,2-dioxide

(4R,5S)-4-tert-butyl-5-methyloxathiazolidine 2,2-dioxide (PubChem CID 166437201) has the molecular formula C7H15NO3S and a molecular weight of 193.27 g/mol. Its IUPAC name is (4R,5S)-4-tert-butyl-5-methyloxathiazolidine 2,2-dioxide.

Molecular Properties

Compound Name(4R,5S)-4-tert-butyl-5-methyloxathiazolidine 2,2-dioxide
PubChem CID166437201
Molecular FormulaC7H15NO3S
Molecular Weight193.27 g/mol
Exact Mass193.08
IUPAC Name(4R,5S)-4-tert-butyl-5-methyloxathiazolidine 2,2-dioxide
SMILESC[C@@H]1OS(=O)(=O)N[C@@H]1C(C)(C)C
InChIInChI=1S/C7H15NO3S/c1-5-6(7(2,3)4)8-12(9,10)11-5/h5-6,8H,1-4H3/t5-,6-/m0/s1
InChIKeyIZDFGHPHNYPSGE-WDSKDSINSA-N
XLogP0.65
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyloxathiazolidine 2,2-dioxide
CID 118588374
tert-butyl 2,4,5-trimethyloxolane-3-carboxylate
CID 65155560
4,5-ditert-butyltriazolidine
CID 140612842
tert-butyl (4S,5S)-2,2-dioxo-4-phenyloxathiazolidine-5-carboxylate
CID 122363940
(2R,4R,5R,6R)-2-tert-butyl-5,6-dimethyl-1,3-dioxan-4-ol
CID 131134310
2-tert-butyl-4,6-dimethyloxane-3,5-diol
CID 59892631
2-methanidyl-2-methylpropane;methanidyl(trimethyl)silane;nitroxyl anion;1,2,3,4,5-pentamethylcyclopentane;tungsten
CID 23229963
2-tert-butyl-3-methylpiperazine
CID 116829179
2-tert-butyl-3,4,5,6-tetramethyloxane
CID 20707638
2-tert-butyl-5-methyl-1,3-dioxolane-4-carboxylic acid
CID 582907
2-tert-butyl-4-methyl-1,2,5-thiadiazolidine 1,1-dioxide
CID 174934450
4-tert-butyl-1-methylidene-1,2-thiazolidine 1-oxide
CID 158583901

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4-tert-butyl-5-methyloxathiazolidine 2,2-dioxide?
The IUPAC name of (4R,5S)-4-tert-butyl-5-methyloxathiazolidine 2,2-dioxide (CID 166437201) is (4R,5S)-4-tert-butyl-5-methyloxathiazolidine 2,2-dioxide.
What is the SMILES notation for (4R,5S)-4-tert-butyl-5-methyloxathiazolidine 2,2-dioxide?
The canonical SMILES for (4R,5S)-4-tert-butyl-5-methyloxathiazolidine 2,2-dioxide is C[C@@H]1OS(=O)(=O)N[C@@H]1C(C)(C)C.
What is the InChIKey of (4R,5S)-4-tert-butyl-5-methyloxathiazolidine 2,2-dioxide?
The InChIKey is IZDFGHPHNYPSGE-WDSKDSINSA-N. The full InChI is InChI=1S/C7H15NO3S/c1-5-6(7(2,3)4)8-12(9,10)11-5/h5-6,8H,1-4H3/t5-,6-/m0/s1.
What are the key properties of (4R,5S)-4-tert-butyl-5-methyloxathiazolidine 2,2-dioxide?
(4R,5S)-4-tert-butyl-5-methyloxathiazolidine 2,2-dioxide has a molecular weight of 193.27 g/mol, XLogP of 0.65, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4-tert-butyl-5-methyloxathiazolidine 2,2-dioxide is sourced from PubChem (CID 166437201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).