tert-Butyl (R)-4-methyl-2,2-dioxo-[1,2,3]oxathiazolidine-3-carboxylate

C₈H₁₅NO₅SCAS 454248-53-4237.27 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₁₅NO₅S
Molar mass: 237.27 g/mol
Exact mass: 237.0671 Da
logP: 0.89Crippen estimate
Polar surface area: 72.9 Å²
H-bond donors / acceptors: 0 / 5
Rotatable bonds: 0
Stereocentres: Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

454248-53-4

SMILES

C[C@@H]1COS(=O)(=O)N1C(=O)OC(C)(C)C

InChIKey

NFAKQWFVEAEEPG-ZCFIWIBFSA-N

InChI

InChI=1S/C8H15NO5S/c1-6-5-13-15(11,12)9(6)7(10)14-8(2,3)4/h6H,5H2,1-4H3/t6-/m1/s1

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Names and synonyms

1 names

(4R)-2,2-Dioxido-4-methyl-1,2,3-oxathiazolidine,N-BOC protected

Work with tert-Butyl (R)-4-methyl-2,2-dioxo-[1,2,3]oxathiazolidine-3-carboxylate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

tert-Butyl 1,2,3-oxathiazolidine-3-carboxylate 2,2-dioxide459817-82-450 % similar tert-Butyl (2R,6S)-2,6-dimethylpiperazine-1-carboxylate180975-66-048 % similar tert-Butyl 2-methylpiperazine-1-carboxylate120737-78-243 % similar 1,1-Dimethylethyl (2S)-2-methyl-1-piperazinecarboxylate169447-70-543 % similar (R)-1-N-Boc-2-methylpiperazine170033-47-343 % similar tert-Butyl 2-methyl-4-oxopiperidine-1-carboxylate190906-92-443 % similar 1-Piperidinecarboxylicacid,2-methyl-4-oxo-,1,1-dimethylethylester,(2R)-(9ci)790667-43-543 % similar tert-Butyl (2R,5S)-2,5-dimethylpiperazine-1-carboxylate309915-46-643 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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