tert-Butyl 1,2,3-oxathiazolidine-3-carboxylate 2,2-dioxide

C₇H₁₃NO₅SCAS 459817-82-4223.24 g/mol

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Properties

Molecular formula: C₇H₁₃NO₅S
Molar mass: 223.24 g/mol
Exact mass: 223.0514 Da
logP: 0.50Crippen estimate
Polar surface area: 72.9 Å²
H-bond donors / acceptors: 0 / 5
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H400 Very toxic to aquatic life100% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P273, P301+P317, P330, P391, P501

Identifiers

CAS number

459817-82-4

SMILES

CC(C)(C)OC(=O)N1CCOS1(=O)=O

InChIKey

ALJRPIAYJALVFG-UHFFFAOYSA-N

InChI

InChI=1S/C7H13NO5S/c1-7(2,3)13-6(9)8-4-5-12-14(8,10)11/h4-5H2,1-3H3

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Names and synonyms

1 names

3-Boc-1,2,3-oxathiazolidine 2,2-dioxide

Work with tert-Butyl 1,2,3-oxathiazolidine-3-carboxylate 2,2-dioxide

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 (R)-4-methyl-2,2-dioxo-[1,2,3]oxathiazolidine-3-carboxylate454248-53-450 % similar 1,1-Dimethylethyl 1-pyrrolidinecarboxylate86953-79-947 % similar 1,1-Dimethylethyl 1-piperidinecarboxylate75844-69-846 % similar 4-[(Methylsulfonyl)oxy]piperidine-1-carboxylic acid tert-butyl ester141699-59-444 % similar tert-Butyl 4-bromopiperidine-1-carboxylate180695-79-844 % similar N-Boc-diethanolamine103898-11-944 % similar N-Boc-N,N-bis(2-chloroethyl)amine118753-70-144 % similar 1-Boc-4-methylpiperazine53788-49-144 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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