2-(trans-4-((tert-Butoxycarbonyl)amino)cyclohexyl)ethyl 4-methylbenzenesulfonate

C₂₀H₃₁NO₅SCAS 2093293-77-5397.53 g/mol

Open in Covalent MOL file

Carbamate Sulfonate ester

Properties

Molecular formula: C₂₀H₃₁NO₅S
Molar mass: 397.53 g/mol
Exact mass: 397.1923 Da
logP: 4.17Crippen estimate
Polar surface area: 81.7 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 6

Identifiers

CAS number

2093293-77-5

SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCC2CCC(CC2)NC(=O)OC(C)(C)C

InChIKey

RKVRZCAYSKQLMS-UHFFFAOYSA-N

InChI

InChI=1S/C20H31NO5S/c1-15-5-11-18(12-6-15)27(23,24)25-14-13-16-7-9-17(10-8-16)21-19(22)26-20(2,3)4/h5-6,11-12,16-17H,7-10,13-14H2,1-4H3,(H,21,22)

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Names and synonyms

1 names

2-((1R,4R)-4-(tert-Butoxycarbonyl)cyclohexyl)ethyl 4-methylbenzenesulfonate

Work with 2-(trans-4-((tert-Butoxycarbonyl)amino)cyclohexyl)ethyl 4-methylbenzenesulfonate

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 tosyloxycarbamate105838-14-056 % similar N-tert-Butoxycarbonyl-4-(4-toluenesulfonyloxymethyl)piperidine166815-96-954 % similar N-(tert-Butoxycarbonyl)-P-toluenesulfonamide18303-04-349 % similar Propyl 4-methylbenzenesulfonate599-91-746 % similar 1-(tert-Butoxycarbonyl)-4-(p-toluenesulfonyloxy)piperidine118811-07-746 % similar Boc-1,4-trans-acha-oh189153-10-446 % similar exo-3-Boc-aminotropane132234-68-545 % similar 1,3-Propanediol ditosylate5469-66-945 % similar

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

Elsewhere

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