chempirical

1,1-Dimethylethyl 4-(chlorosulfonyl)-1-piperidinecarboxylate

C10H18ClNO4SCAS 782501-25-1283.77 g/mol

Open in Covalent MOL file
OONSOOCl
Carbamate

Properties

Molecular formula
C10H18ClNO4S
Molar mass
283.77 g/mol
Exact mass
283.0645 Da
logP
1.95Crippen estimate
Polar surface area
63.7 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
1

Identifiers

CAS number
782501-25-1
SMILES
CC(C)(C)OC(=O)N1CCC(S(=O)(=O)Cl)CC1
InChIKey
VJAHMDQRVLEOFG-UHFFFAOYSA-N
InChI
InChI=1S/C10H18ClNO4S/c1-10(2,3)16-9(13)12-6-4-8(5-7-12)17(11,14)15/h8H,4-7H2,1-3H3

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Names and synonyms

3 names
  • 1-Piperidinecarboxylic acid, 4-(chlorosulfonyl)-, 1,1-dimethylethyl ester
  • 4-Chlorosulfonylpiperidine-1-carboxylic acid tert-butyl ester
  • tert-Butyl 4-(chlorosulfonyl)piperidine-1-carboxylate

Work with 1,1-Dimethylethyl 4-(chlorosulfonyl)-1-piperidinecarboxylate

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

4-Hydroxypiperidine-1-carboxylic acid tert-butyl ester109384-19-257 % similar tert-Butyl 4-aminopiperidine-1-carboxylate87120-72-757 % similar 4-[(Methylsulfonyl)oxy]piperidine-1-carboxylic acid tert-butyl ester141699-59-457 % similar N-Boc-4-piperidinemethanol123855-51-655 % similar 1-tert-Butoxycarbonyl-4-acetylpiperidine206989-61-955 % similar 1,1-Dimethylethyl 1-pyrrolidinecarboxylate86953-79-954 % similar N-Boc-N,N-bis(2-chloroethyl)amine118753-70-154 % similar 1,1-Dimethylethyl 1-piperidinecarboxylate75844-69-853 % similar

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

Elsewhere

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