4-O-tert-butyl 3-O-methyl (3R)-1,1-dioxo-1,4-thiazinane-3,4-dicarboxylate

C11H19NO6S — CID 97297853

IUPAC4-O-tert-butyl 3-O-methyl (3R)-1,1-dioxo-1,4-thiazinane-3,4-dicarboxylate
SMILESCOC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C11H19NO6S/c1-11(2,3)18-10(14)12-5-6-19(15,16)7-8(12)9(13)17-4/h8H,5-7H2,1-4H3/t8-/m0/s1
InChIKeyDIYIRNCLLFDDON-QMMMGPOBSA-N
MW293.34 g/mol
LogP0.19
Rot. Bonds1

About 4-O-tert-butyl 3-O-methyl (3R)-1,1-dioxo-1,4-thiazinane-3,4-dicarboxylate

4-O-tert-butyl 3-O-methyl (3R)-1,1-dioxo-1,4-thiazinane-3,4-dicarboxylate (PubChem CID 97297853) has the molecular formula C11H19NO6S and a molecular weight of 293.34 g/mol. Its IUPAC name is 4-O-tert-butyl 3-O-methyl (3R)-1,1-dioxo-1,4-thiazinane-3,4-dicarboxylate.

Molecular Properties

Compound Name4-O-tert-butyl 3-O-methyl (3R)-1,1-dioxo-1,4-thiazinane-3,4-dicarboxylate
PubChem CID97297853
Molecular FormulaC11H19NO6S
Molecular Weight293.34 g/mol
Exact Mass293.09
IUPAC Name4-O-tert-butyl 3-O-methyl (3R)-1,1-dioxo-1,4-thiazinane-3,4-dicarboxylate
SMILESCOC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C11H19NO6S/c1-11(2,3)18-10(14)12-5-6-19(15,16)7-8(12)9(13)17-4/h8H,5-7H2,1-4H3/t8-/m0/s1
InChIKeyDIYIRNCLLFDDON-QMMMGPOBSA-N
XLogP0.19
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-O-tert-butyl 3-O-methyl (3R)-1,1-dioxo-1,4-thiazinane-3,4-dicarboxylate with MolForge

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Related Compounds

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CID 172878152
1-O-tert-butyl 2-O-methyl (2S)-4-tert-butylpiperazine-1,2-dicarboxylate
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azane;1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate
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1-O,4-O-ditert-butyl 2-O-methyl 1,4-diazepane-1,2,4-tricarboxylate
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tert-butyl 3-(cyanomethyl)-1,1-dioxo-1,4-thiazinane-4-carboxylate
CID 84810505
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Frequently Asked Questions

What is the IUPAC name of 4-O-tert-butyl 3-O-methyl (3R)-1,1-dioxo-1,4-thiazinane-3,4-dicarboxylate?
The IUPAC name of 4-O-tert-butyl 3-O-methyl (3R)-1,1-dioxo-1,4-thiazinane-3,4-dicarboxylate (CID 97297853) is 4-O-tert-butyl 3-O-methyl (3R)-1,1-dioxo-1,4-thiazinane-3,4-dicarboxylate.
What is the SMILES notation for 4-O-tert-butyl 3-O-methyl (3R)-1,1-dioxo-1,4-thiazinane-3,4-dicarboxylate?
The canonical SMILES for 4-O-tert-butyl 3-O-methyl (3R)-1,1-dioxo-1,4-thiazinane-3,4-dicarboxylate is COC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)OC(C)(C)C.
What is the InChIKey of 4-O-tert-butyl 3-O-methyl (3R)-1,1-dioxo-1,4-thiazinane-3,4-dicarboxylate?
The InChIKey is DIYIRNCLLFDDON-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H19NO6S/c1-11(2,3)18-10(14)12-5-6-19(15,16)7-8(12)9(13)17-4/h8H,5-7H2,1-4H3/t8-/m0/s1.
What are the key properties of 4-O-tert-butyl 3-O-methyl (3R)-1,1-dioxo-1,4-thiazinane-3,4-dicarboxylate?
4-O-tert-butyl 3-O-methyl (3R)-1,1-dioxo-1,4-thiazinane-3,4-dicarboxylate has a molecular weight of 293.34 g/mol, XLogP of 0.19, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-O-tert-butyl 3-O-methyl (3R)-1,1-dioxo-1,4-thiazinane-3,4-dicarboxylate is sourced from PubChem (CID 97297853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).