tert-butyl 1,1-dioxo-3a,4,6,7-tetrahydro-3H-oxathiazolo[3,4-a]pyrazine-5-carboxylate

C10H18N2O5S — CID 123418147

IUPACtert-butyl 1,1-dioxo-3a,4,6,7-tetrahydro-3H-oxathiazolo[3,4-a]pyrazine-5-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN2C(COS2(=O)=O)C1
InChIInChI=1S/C10H18N2O5S/c1-10(2,3)17-9(13)11-4-5-12-8(6-11)7-16-18(12,14)15/h8H,4-7H2,1-3H3
InChIKeyDCVUXVIIIGLLNG-UHFFFAOYSA-N
MW278.33 g/mol
LogP0.18
Rot. Bonds

About tert-butyl 1,1-dioxo-3a,4,6,7-tetrahydro-3H-oxathiazolo[3,4-a]pyrazine-5-carboxylate

tert-butyl 1,1-dioxo-3a,4,6,7-tetrahydro-3H-oxathiazolo[3,4-a]pyrazine-5-carboxylate (PubChem CID 123418147) has the molecular formula C10H18N2O5S and a molecular weight of 278.33 g/mol. Its IUPAC name is tert-butyl 1,1-dioxo-3a,4,6,7-tetrahydro-3H-oxathiazolo[3,4-a]pyrazine-5-carboxylate.

Molecular Properties

Compound Nametert-butyl 1,1-dioxo-3a,4,6,7-tetrahydro-3H-oxathiazolo[3,4-a]pyrazine-5-carboxylate
PubChem CID123418147
Molecular FormulaC10H18N2O5S
Molecular Weight278.33 g/mol
Exact Mass278.09
IUPAC Nametert-butyl 1,1-dioxo-3a,4,6,7-tetrahydro-3H-oxathiazolo[3,4-a]pyrazine-5-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN2C(COS2(=O)=O)C1
InChIInChI=1S/C10H18N2O5S/c1-10(2,3)17-9(13)11-4-5-12-8(6-11)7-16-18(12,14)15/h8H,4-7H2,1-3H3
InChIKeyDCVUXVIIIGLLNG-UHFFFAOYSA-N
XLogP0.18
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 1,1-dioxo-3a,4,6,7-tetrahydro-3H-oxathiazolo[3,4-a]pyrazine-5-carboxylate with MolForge

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Related Compounds

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CID 138543980
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CID 138550018
tert-butyl (3R,4R)-4-fluoro-3-hydroxypiperidine-1-carboxylate
CID 67086934
tert-butyl 1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxylate
CID 63788851
tert-butyl 3-(5-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)piperidine-1-carboxylate
CID 138621962
tert-butyl 9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxylate
CID 18545171
tert-butyl 7-amino-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate
CID 74893751
tert-butyl (3R)-3-methylpyrrolidine-1-carboxylate
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tert-butyl 3-(2,6-dimethylmorpholin-4-yl)pyrrolidine-1-carboxylate
CID 123619361
2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-7-carboxylic acid
CID 50999127
tert-butyl 8-cyclopropyl-3,8-diazabicyclo[3.2.1]octane-3-carboxylate;ethane
CID 153403871
ditert-butyl 4,9-diazatricyclo[5.3.0.02,6]decane-4,9-dicarboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 1,1-dioxo-3a,4,6,7-tetrahydro-3H-oxathiazolo[3,4-a]pyrazine-5-carboxylate?
The IUPAC name of tert-butyl 1,1-dioxo-3a,4,6,7-tetrahydro-3H-oxathiazolo[3,4-a]pyrazine-5-carboxylate (CID 123418147) is tert-butyl 1,1-dioxo-3a,4,6,7-tetrahydro-3H-oxathiazolo[3,4-a]pyrazine-5-carboxylate.
What is the SMILES notation for tert-butyl 1,1-dioxo-3a,4,6,7-tetrahydro-3H-oxathiazolo[3,4-a]pyrazine-5-carboxylate?
The canonical SMILES for tert-butyl 1,1-dioxo-3a,4,6,7-tetrahydro-3H-oxathiazolo[3,4-a]pyrazine-5-carboxylate is CC(C)(C)OC(=O)N1CCN2C(COS2(=O)=O)C1.
What is the InChIKey of tert-butyl 1,1-dioxo-3a,4,6,7-tetrahydro-3H-oxathiazolo[3,4-a]pyrazine-5-carboxylate?
The InChIKey is DCVUXVIIIGLLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O5S/c1-10(2,3)17-9(13)11-4-5-12-8(6-11)7-16-18(12,14)15/h8H,4-7H2,1-3H3.
What are the key properties of tert-butyl 1,1-dioxo-3a,4,6,7-tetrahydro-3H-oxathiazolo[3,4-a]pyrazine-5-carboxylate?
tert-butyl 1,1-dioxo-3a,4,6,7-tetrahydro-3H-oxathiazolo[3,4-a]pyrazine-5-carboxylate has a molecular weight of 278.33 g/mol, XLogP of 0.18, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1,1-dioxo-3a,4,6,7-tetrahydro-3H-oxathiazolo[3,4-a]pyrazine-5-carboxylate is sourced from PubChem (CID 123418147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).