tert-butyl (4S)-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2,2-dioxooxathiazolidine-3-carboxylate

C13H23NO7S — CID 118166662

IUPACtert-butyl (4S)-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2,2-dioxooxathiazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)C[C@H]1COS(=O)(=O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C13H23NO7S/c1-12(2,3)20-10(15)7-9-8-19-22(17,18)14(9)11(16)21-13(4,5)6/h9H,7-8H2,1-6H3/t9-/m0/s1
InChIKeyJSOWAMJKZVGUIY-VIFPVBQESA-N
MW337.39 g/mol
LogP1.60
Rot. Bonds2

About tert-butyl (4S)-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2,2-dioxooxathiazolidine-3-carboxylate

tert-butyl (4S)-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2,2-dioxooxathiazolidine-3-carboxylate (PubChem CID 118166662) has the molecular formula C13H23NO7S and a molecular weight of 337.39 g/mol. Its IUPAC name is tert-butyl (4S)-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2,2-dioxooxathiazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4S)-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2,2-dioxooxathiazolidine-3-carboxylate
PubChem CID118166662
Molecular FormulaC13H23NO7S
Molecular Weight337.39 g/mol
Exact Mass337.12
IUPAC Nametert-butyl (4S)-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2,2-dioxooxathiazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)C[C@H]1COS(=O)(=O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C13H23NO7S/c1-12(2,3)20-10(15)7-9-8-19-22(17,18)14(9)11(16)21-13(4,5)6/h9H,7-8H2,1-6H3/t9-/m0/s1
InChIKeyJSOWAMJKZVGUIY-VIFPVBQESA-N
XLogP1.60
TPSA99.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze tert-butyl (4S)-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2,2-dioxooxathiazolidine-3-carboxylate with MolForge

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Related Compounds

tert-butyl (4S)-4-(2-methoxy-2-oxo-ethyl)-2,2-dimethyl-oxazolidine-3-carboxylate
CID 10923729
Tert-butyl 4-(2-methoxy-2-oxo-ethyl)-2,2-dimethyl-oxazolidine-3-carboxylate
CID 67191128
tert-butyl (4R)-4-(2-methoxy-2-oxo-ethyl)-2,2-dimethyl-oxazolidine-3-carboxylate
CID 71187655
Tert-butyl 4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2,2-dioxooxathiazolidine-3-carboxylate
CID 118166659
4-[2-[(2-Methylpropan-2-yl)oxy]-2-oxoethyl]-2,2-dioxooxathiazolidine-3-carboxylic acid
CID 118166713
tert-butyl (4S)-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxooxathiazolidine-3-carboxylate
CID 124193644
Tert-butyl 2-(3-methyl-2,2-dioxooxathiazolidin-4-yl)acetate
CID 124193645
tert-butyl (4R)-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2,2-dioxooxathiazolidine-3-carboxylate
CID 124193646
tert-butyl (4R)-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxooxathiazolidine-3-carboxylate
CID 124193647
tert-butyl (4S)-4-(1-methoxy-1-oxopropan-2-yl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 140981550
tert-butyl (4S)-4-(2-methoxyethyl)-2,2-dioxooxathiazolidine-3-carboxylate
CID 170585015
tert-butyl (4S)-2,2-dioxo-4-[2-(trideuteriomethoxy)ethyl]oxathiazolidine-3-carboxylate
CID 170585062

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S)-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2,2-dioxooxathiazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4S)-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2,2-dioxooxathiazolidine-3-carboxylate (CID 118166662) is tert-butyl (4S)-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2,2-dioxooxathiazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4S)-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2,2-dioxooxathiazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4S)-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2,2-dioxooxathiazolidine-3-carboxylate is CC(C)(C)OC(=O)C[C@H]1COS(=O)(=O)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (4S)-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2,2-dioxooxathiazolidine-3-carboxylate?
The InChIKey is JSOWAMJKZVGUIY-VIFPVBQESA-N. The full InChI is InChI=1S/C13H23NO7S/c1-12(2,3)20-10(15)7-9-8-19-22(17,18)14(9)11(16)21-13(4,5)6/h9H,7-8H2,1-6H3/t9-/m0/s1.
What are the key properties of tert-butyl (4S)-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2,2-dioxooxathiazolidine-3-carboxylate?
tert-butyl (4S)-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2,2-dioxooxathiazolidine-3-carboxylate has a molecular weight of 337.39 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4S)-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2,2-dioxooxathiazolidine-3-carboxylate is sourced from PubChem (CID 118166662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).