Cyclohexanone,2-(ethylamino)-2-(2-thienyl)- (14176-49-9)

The IUPAC name of Tiletamine is 2-(ethylamino)-2-thiophen-2-ylcyclohexan-1-one. With the CAS registry number 14176-49-9, it is also named as Cyclohexanone, 2-(ethylamino)-2-(2-thienyl)-. The classification codes are Anesthetics; Anesthetics, General; Anesthetics, dissociative; Anesthetics, intravenous; Anticonvulsants; Central Nervous System Agents; Central Nervous System Depressants. Additionally, it is proposed anesthetic with possible anticonvulsant and sedative properties. 

The other characteristics of Tiletamine can be summarized as: (1)ACD/LogP: 1.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.5; (4)ACD/LogD (pH 7.4): 1.7; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 10.99; (7)ACD/KOC (pH 5.5): 11.47; (8)ACD/KOC (pH 7.4): 182.07; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.556; (13)Molar Refractivity: 63.66 cm³; (14)Molar Volume: 198 cm³; (15)Polarizability: 25.24×10^-24 cm³; (16)Surface Tension: 43.7 dyne/cm; (17)Enthalpy of Vaporization: 59.75 kJ/mol; (18)Vapour Pressure: 3.79E-05 mmHg at 25°C; (19)Rotatable Bond Count: 3; (20)Tautomer Count: 2; (21)Exact Mass: 223.103085; (22)MonoIsotopic Mass: 223.103085; (23)Topological Polar Surface Area: 57.3; (24)Heavy Atom Count: 15.

People can use the following data to convert to the molecule structure.
1. SMILES:O=C2C(c1sccc1)(NCC)CCCC2
2. InChI:InChI=1/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