tert-butyl (4S)-2,2-dioxo-4-[2-(trideuteriomethoxy)ethyl]oxathiazolidine-3-carboxylate

C10H19NO6S — CID 170585062

IUPACtert-butyl (4S)-2,2-dioxo-4-[2-(trideuteriomethoxy)ethyl]oxathiazolidine-3-carboxylate
SMILES[2H]C([2H])([2H])OCC[C@H]1COS(=O)(=O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO6S/c1-10(2,3)17-9(12)11-8(5-6-15-4)7-16-18(11,13)14/h8H,5-7H2,1-4H3/t8-/m0/s1/i4D3
InChIKeyZTHPHCQHFNTNDD-GCOLQEPDSA-N
MW284.35 g/mol
LogP0.90
Rot. Bonds4

About tert-butyl (4S)-2,2-dioxo-4-[2-(trideuteriomethoxy)ethyl]oxathiazolidine-3-carboxylate

tert-butyl (4S)-2,2-dioxo-4-[2-(trideuteriomethoxy)ethyl]oxathiazolidine-3-carboxylate (PubChem CID 170585062) has the molecular formula C10H19NO6S and a molecular weight of 284.35 g/mol. Its IUPAC name is tert-butyl (4S)-2,2-dioxo-4-[2-(trideuteriomethoxy)ethyl]oxathiazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4S)-2,2-dioxo-4-[2-(trideuteriomethoxy)ethyl]oxathiazolidine-3-carboxylate
PubChem CID170585062
Molecular FormulaC10H19NO6S
Molecular Weight284.35 g/mol
Exact Mass284.11
IUPAC Nametert-butyl (4S)-2,2-dioxo-4-[2-(trideuteriomethoxy)ethyl]oxathiazolidine-3-carboxylate
SMILES[2H]C([2H])([2H])OCC[C@H]1COS(=O)(=O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO6S/c1-10(2,3)17-9(12)11-8(5-6-15-4)7-16-18(11,13)14/h8H,5-7H2,1-4H3/t8-/m0/s1/i4D3
InChIKeyZTHPHCQHFNTNDD-GCOLQEPDSA-N
XLogP0.90
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 4-[(2R)-butan-2-yl]-2,2-dioxooxathiazolidine-3-carboxylate
CID 135074460
tert-butyl 2,2-dihydroxy-4-(methoxymethyl)oxathiazolidine-3-carboxylate
CID 170585109
tert-butyl (4S)-4-[(3-chlorophenyl)methyl]-2,2-dioxooxathiazolidine-3-carboxylate
CID 87254310
tert-butyl 2,2-dioxo-4-[[3-(trifluoromethyl)phenyl]methyl]oxathiazolidine-3-carboxylate
CID 87254282
tert-butyl (4R)-4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dioxooxathiazolidine-3-carboxylate
CID 170585072
tert-butyl (4S)-2,2-dioxo-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]oxathiazolidine-3-carboxylate
CID 87264270
tert-butyl (4S)-4-(3,4-difluorophenyl)-2,2-dioxooxathiazolidine-3-carboxylate
CID 125498249
tert-butyl 1,1-dioxo-3a,4,6,7-tetrahydro-3H-oxathiazolo[3,4-a]pyrazine-5-carboxylate
CID 123418147
tert-butyl 2,2-dioxo-4-[3-(trifluoromethyl)phenyl]oxathiazolidine-3-carboxylate
CID 139211221
tert-butyl (5S)-5-methyl-2,2-dioxooxathiazolidine-3-carboxylate
CID 11195739
tert-butyl (5R)-5-methyl-2,2-dioxooxathiazolidine-3-carboxylate
CID 86612930
4-O-tert-butyl 3-O-(9H-fluoren-9-ylmethyl) (4S)-2,2-dioxooxathiazolidine-3,4-dicarboxylate
CID 162698834

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S)-2,2-dioxo-4-[2-(trideuteriomethoxy)ethyl]oxathiazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4S)-2,2-dioxo-4-[2-(trideuteriomethoxy)ethyl]oxathiazolidine-3-carboxylate (CID 170585062) is tert-butyl (4S)-2,2-dioxo-4-[2-(trideuteriomethoxy)ethyl]oxathiazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4S)-2,2-dioxo-4-[2-(trideuteriomethoxy)ethyl]oxathiazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4S)-2,2-dioxo-4-[2-(trideuteriomethoxy)ethyl]oxathiazolidine-3-carboxylate is [2H]C([2H])([2H])OCC[C@H]1COS(=O)(=O)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (4S)-2,2-dioxo-4-[2-(trideuteriomethoxy)ethyl]oxathiazolidine-3-carboxylate?
The InChIKey is ZTHPHCQHFNTNDD-GCOLQEPDSA-N. The full InChI is InChI=1S/C10H19NO6S/c1-10(2,3)17-9(12)11-8(5-6-15-4)7-16-18(11,13)14/h8H,5-7H2,1-4H3/t8-/m0/s1/i4D3.
What are the key properties of tert-butyl (4S)-2,2-dioxo-4-[2-(trideuteriomethoxy)ethyl]oxathiazolidine-3-carboxylate?
tert-butyl (4S)-2,2-dioxo-4-[2-(trideuteriomethoxy)ethyl]oxathiazolidine-3-carboxylate has a molecular weight of 284.35 g/mol, XLogP of 0.90, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4S)-2,2-dioxo-4-[2-(trideuteriomethoxy)ethyl]oxathiazolidine-3-carboxylate is sourced from PubChem (CID 170585062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).