chempirical

Tiletamine

C12H17NOSCAS 14176-49-9223.33 g/mol

Open in Covalent MOL file
NHSO
KetoneSecondary amine

Properties

Molecular formula
C12H17NOS
Molar mass
223.33 g/mol
Exact mass
223.1031 Da
logP
2.70Crippen estimate
Polar surface area
29.1 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3

Identifiers

CAS number
14176-49-9
SMILES
CCNC1(c2cccs2)CCCCC1=O
InChIKey
QAXBVGVYDCAVLV-UHFFFAOYSA-N
InChI
InChI=1S/C12H17NOS/c1-2-13-12(11-7-5-9-15-11)8-4-3-6-10(12)14/h5,7,9,13H,2-4,6,8H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names
  • Cyclohexanone, 2-(ethylamino)-2-(2-thienyl)-
  • 2-(Ethylamino)-2-(2-thienyl)cyclohexanone
  • 2-(Ethylamino)-2-(thiophen-2-yl)cyclohexanone
  • 2-(Ethylamino)-2-(thiophen-2-yl)cyclohexan-1-one

Work with Tiletamine

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

Tiletamine hydrochloride14176-50-293 % similar Cyclohexanone, 2-(methylamino)-2-phenyl-, hydrochloride (1:1)4631-27-043 % similar 2-(2-Fluorophenyl)-2-(methylamino)cyclohexanone111982-50-442 % similar Ketamine hydrochloride1867-66-939 % similar (R)-(+)-Ketamine hydrochloride33795-24-339 % similar Methyl α-hydroxy-α-2-thienyl-2-thiopheneacetate26447-85-833 % similar 1-(2-Thienyl)-1-butanone5333-83-533 % similar 1-(2-Thienyl)-1-propanone13679-75-931 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook