tert-butyl 2,2-dioxo-4-propyl-5H-oxathiazole-5-carboxylate

C10H17NO5S — CID 166437255

IUPACtert-butyl 2,2-dioxo-4-propyl-5H-oxathiazole-5-carboxylate
SMILESCCCC1=NS(=O)(=O)OC1C(=O)OC(C)(C)C
InChIInChI=1S/C10H17NO5S/c1-5-6-7-8(16-17(13,14)11-7)9(12)15-10(2,3)4/h8H,5-6H2,1-4H3
InChIKeyXYTSIWPZLYELIA-UHFFFAOYSA-N
MW263.31 g/mol
LogP1.21
Rot. Bonds3

About tert-butyl 2,2-dioxo-4-propyl-5H-oxathiazole-5-carboxylate

tert-butyl 2,2-dioxo-4-propyl-5H-oxathiazole-5-carboxylate (PubChem CID 166437255) has the molecular formula C10H17NO5S and a molecular weight of 263.31 g/mol. Its IUPAC name is tert-butyl 2,2-dioxo-4-propyl-5H-oxathiazole-5-carboxylate.

Molecular Properties

Compound Nametert-butyl 2,2-dioxo-4-propyl-5H-oxathiazole-5-carboxylate
PubChem CID166437255
Molecular FormulaC10H17NO5S
Molecular Weight263.31 g/mol
Exact Mass263.08
IUPAC Nametert-butyl 2,2-dioxo-4-propyl-5H-oxathiazole-5-carboxylate
SMILESCCCC1=NS(=O)(=O)OC1C(=O)OC(C)(C)C
InChIInChI=1S/C10H17NO5S/c1-5-6-7-8(16-17(13,14)11-7)9(12)15-10(2,3)4/h8H,5-6H2,1-4H3
InChIKeyXYTSIWPZLYELIA-UHFFFAOYSA-N
XLogP1.21
TPSA82.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl (4R,5S)-5-ethyl-2,2-dioxo-1,3,2-dioxathiolane-4-carboxylate
CID 118529940
4-O-tert-butyl 1-O-propyl cyclohexane-1,4-dicarboxylate
CID 66983945
tert-butyl 3-[2-(4-methylphenyl)ethyl]-2H-azirine-2-carboxylate
CID 170045700
tert-butyl 3-methyl-2H-azirine-2-carboxylate
CID 86223118
tert-butyl (2S,5S)-5-ethylpyrrolidine-2-carboxylate
CID 70085828
tert-butyl 5-methyl-1,3,4-oxadiazole-2-carboxylate
CID 132534767
1-O-butyl 4-O-tert-butyl cyclohexane-1,4-dicarboxylate
CID 66984653
tert-butyl (2S)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-2-carboxylate
CID 80999649
tert-butyl (2S,4S,6S)-4-hydroxy-6-propylpiperidine-2-carboxylate;hydrochloride
CID 72714047
tert-butyl 2,2-dichloro-3,3-diethylcyclopropane-1-carboxylate
CID 21417878
tert-butyl 2,3-dihydroazete-3-carboxylate
CID 168984140
tert-butyl (4R,5S)-4-methyl-3-oxo-5-propan-2-yloxolane-2-carboxylate
CID 156750169

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2,2-dioxo-4-propyl-5H-oxathiazole-5-carboxylate?
The IUPAC name of tert-butyl 2,2-dioxo-4-propyl-5H-oxathiazole-5-carboxylate (CID 166437255) is tert-butyl 2,2-dioxo-4-propyl-5H-oxathiazole-5-carboxylate.
What is the SMILES notation for tert-butyl 2,2-dioxo-4-propyl-5H-oxathiazole-5-carboxylate?
The canonical SMILES for tert-butyl 2,2-dioxo-4-propyl-5H-oxathiazole-5-carboxylate is CCCC1=NS(=O)(=O)OC1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2,2-dioxo-4-propyl-5H-oxathiazole-5-carboxylate?
The InChIKey is XYTSIWPZLYELIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO5S/c1-5-6-7-8(16-17(13,14)11-7)9(12)15-10(2,3)4/h8H,5-6H2,1-4H3.
What are the key properties of tert-butyl 2,2-dioxo-4-propyl-5H-oxathiazole-5-carboxylate?
tert-butyl 2,2-dioxo-4-propyl-5H-oxathiazole-5-carboxylate has a molecular weight of 263.31 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2,2-dioxo-4-propyl-5H-oxathiazole-5-carboxylate is sourced from PubChem (CID 166437255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).