tert-Butyl (2S)-2-carbamothioylpyrrolidine-1-carboxylate

C10H18N2O2SCAS 101410-18-8230.33 g/mol

Open in Covalent MOL file
OONSH2N
Carbamate

Properties

Molecular formula
C10H18N2O2S
Molar mass
230.33 g/mol
Exact mass
230.1089 Da
logP
1.67Crippen estimate
Polar surface area
55.6 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1
Stereocentres
Sin SMILES atom order

Hazards

Not classified as hazardous under GHS. Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
101410-18-8
SMILES
CC(C)(C)OC(=O)N1CCC[C@H]1C(=S)N
InChIKey
KPAOKCBKJXBXNI-ZETCQYMHSA-N
InChI
InChI=1S/C10H18N2O2S/c1-10(2,3)14-9(13)12-6-4-5-7(12)8(11)15/h7H,4-6H2,1-3H3,(H2,11,15)/t7-/m0/s1

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Names and synonyms

1 names
  • (S)-2-Thiocarbamoyl-pyrrolidine-1-carboxylic acid tert-butyl ester

Work with tert-Butyl (2S)-2-carbamothioylpyrrolidine-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

D-1-N-Boc-prolinamide70138-72-671 % similar tert-Butyl 2-carbamoylpiperidine-1-carboxylate388077-74-565 % similar (S)-1-N-Boc-piperidine-2-carboxamide78058-41-065 % similar Boc-L-proline15761-39-463 % similar tert-Butyl 4-carbamothioylpiperidine-1-carboxylate214834-18-163 % similar (2R)-1-[(tert-Butoxy)carbonyl]pyrrolidine-2-carboxylic acid37784-17-163 % similar 1-[(tert-Butoxy)carbonyl]pyrrolidine-2-carboxylic acid59433-50-063 % similar Boc-L-pro-ome59936-29-761 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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