tert-Butyl 4-carbamothioylpiperidine-1-carboxylate

C₁₁H₂₀N₂O₂SCAS 214834-18-1244.35 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₁H₂₀N₂O₂S
Molar mass: 244.35 g/mol
Exact mass: 244.1245 Da
logP: 1.92Crippen estimate
Polar surface area: 55.6 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

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

214834-18-1

SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C(=S)N

InChIKey

SCGQNJHAAYUQOO-UHFFFAOYSA-N

InChI

InChI=1S/C11H20N2O2S/c1-11(2,3)15-10(14)13-6-4-8(5-7-13)9(12)16/h8H,4-7H2,1-3H3,(H2,12,16)

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Names and synonyms

1 names

tert-Butyl 4-(aminocarbothioyl)tetrahydropyridine-1(2H)-carboxylate

Work with tert-Butyl 4-carbamothioylpiperidine-1-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 (2S)-2-carbamothioylpyrrolidine-1-carboxylate101410-18-863 % similar 1-tert-Butoxycarbonyl-4-acetylpiperidine206989-61-963 % similar tert-Butyl 3-carbamoylpyrrolidine-1-carboxylate122684-34-862 % similar tert-Butyl 4-aminopiperidine-1-carboxylate87120-72-762 % similar 1-(tert-Butoxycarbonyl)-4-piperidinecarboxylic acid174316-71-361 % similar 4-Thiocarbamoyl-piperazine-1-carboxylic acid tert-butyl ester196811-66-260 % similar 1-(1,1-Dimethylethyl) 4-methyl 1,4-piperidinedicarboxylate124443-68-160 % similar 1-Boc-hexahydro-1H-azepin-4-amine196613-57-760 % similar

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

Elsewhere

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