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

C8H15NO5SCAS 454248-53-4237.27 g/mol

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OSOONOO
Carbamate

Properties

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

Hazards

Warning
Irritant (GHS07)

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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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