tert-butyl (5S)-5-methyl-2,2-dioxooxathiazolidine-3-carboxylate

C8H15NO5S — CID 11195739

IUPACtert-butyl (5S)-5-methyl-2,2-dioxooxathiazolidine-3-carboxylate
SMILESC[C@H]1CN(C(=O)OC(C)(C)C)S(=O)(=O)O1
InChIInChI=1S/C8H15NO5S/c1-6-5-9(15(11,12)14-6)7(10)13-8(2,3)4/h6H,5H2,1-4H3/t6-/m0/s1
InChIKeyZGFOJWQAHCHOLG-LURJTMIESA-N
MW237.28 g/mol
LogP0.89
Rot. Bonds

About tert-butyl (5S)-5-methyl-2,2-dioxooxathiazolidine-3-carboxylate

tert-butyl (5S)-5-methyl-2,2-dioxooxathiazolidine-3-carboxylate (PubChem CID 11195739) has the molecular formula C8H15NO5S and a molecular weight of 237.28 g/mol. Its IUPAC name is tert-butyl (5S)-5-methyl-2,2-dioxooxathiazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (5S)-5-methyl-2,2-dioxooxathiazolidine-3-carboxylate
PubChem CID11195739
Molecular FormulaC8H15NO5S
Molecular Weight237.28 g/mol
Exact Mass237.07
IUPAC Nametert-butyl (5S)-5-methyl-2,2-dioxooxathiazolidine-3-carboxylate
SMILESC[C@H]1CN(C(=O)OC(C)(C)C)S(=O)(=O)O1
InChIInChI=1S/C8H15NO5S/c1-6-5-9(15(11,12)14-6)7(10)13-8(2,3)4/h6H,5H2,1-4H3/t6-/m0/s1
InChIKeyZGFOJWQAHCHOLG-LURJTMIESA-N
XLogP0.89
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl (5R)-5-methyl-2,2-dioxooxathiazolidine-3-carboxylate
CID 86612930
tert-butyl 5-(4-nitrophenyl)-2,2-dioxooxathiazolidine-3-carboxylate
CID 175955140
tert-butyl (3S,4S)-3,4-dimethylpyrrolidine-1-carboxylate
CID 90195379
ditert-butyl (3S,6R)-3,6-dimethyldiazinane-1,2-dicarboxylate
CID 101100448
ditert-butyl 3-methyldiazetidine-1,2-dicarboxylate
CID 102456456
tert-butyl (3R)-2,3-dimethylazetidine-1-carboxylate
CID 174284070
(2S,3S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid
CID 169449252
ethane;2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid
CID 178026408
tert-butyl (2R,6R)-2-carbamoyl-6-methylmorpholine-4-carboxylate
CID 177184014
tert-butyl (6S)-6-methyloxathiazinane-3-carboxylate
CID 123510629
ditert-butyl 4,9-diazatricyclo[5.3.0.02,6]decane-4,9-dicarboxylate
CID 118111531
tert-butyl (3aR,6aS)-2,2-dioxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-c]pyrrole-5-carboxylate
CID 66592416

Frequently Asked Questions

What is the IUPAC name of tert-butyl (5S)-5-methyl-2,2-dioxooxathiazolidine-3-carboxylate?
The IUPAC name of tert-butyl (5S)-5-methyl-2,2-dioxooxathiazolidine-3-carboxylate (CID 11195739) is tert-butyl (5S)-5-methyl-2,2-dioxooxathiazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (5S)-5-methyl-2,2-dioxooxathiazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (5S)-5-methyl-2,2-dioxooxathiazolidine-3-carboxylate is C[C@H]1CN(C(=O)OC(C)(C)C)S(=O)(=O)O1.
What is the InChIKey of tert-butyl (5S)-5-methyl-2,2-dioxooxathiazolidine-3-carboxylate?
The InChIKey is ZGFOJWQAHCHOLG-LURJTMIESA-N. The full InChI is InChI=1S/C8H15NO5S/c1-6-5-9(15(11,12)14-6)7(10)13-8(2,3)4/h6H,5H2,1-4H3/t6-/m0/s1.
What are the key properties of tert-butyl (5S)-5-methyl-2,2-dioxooxathiazolidine-3-carboxylate?
tert-butyl (5S)-5-methyl-2,2-dioxooxathiazolidine-3-carboxylate has a molecular weight of 237.28 g/mol, XLogP of 0.89, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (5S)-5-methyl-2,2-dioxooxathiazolidine-3-carboxylate is sourced from PubChem (CID 11195739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).