1.0 2010-04-08 22:10:45 UTC 2018-05-29 01:05:26 UTC FDB013491 (R)-2-Amino-N-(2,2,4,4-tetramethyl-3-thietanyl)propanamide Aqueous degradation production of Alitame <ht>KQS52-O</ht> C10H20N2OS 216.344 216.129633962 2-amino-N-(2,2,4,4-tetramethylthietan-3-yl)propanamide 2-amino-N-(2,2,4,4-tetramethylthietan-3-yl)propanamide 80875-07-6 CC(N)C(=O)NC1C(C)(C)SC1(C)C InChI=1S/C10H20N2OS/c1-6(11)7(13)12-8-9(2,3)14-10(8,4)5/h6,8H,11H2,1-5H3,(H,12,13) VAVRZFPMKSCTDL-UHFFFAOYSA-N belongs to the class of organic compounds known as thietanes. These are heterocyclic compounds containing a saturated four-member ring with three carbon atoms and one sulfur atom. Thietanes Organic compounds Organoheterocyclic compounds Thietanes Aliphatic heteromonocyclic compounds Carboximidic acids Dialkylthioethers Hydrocarbon derivatives Monoalkylamines Organooxygen compounds Organopnictogen compounds Propargyl-type 1,3-dipolar organic compounds Aliphatic heteromonocyclic compound Amine Carboximidic acid Carboximidic acid derivative Dialkylthioether Hydrocarbon derivative Organic 1,3-dipolar compound Organic nitrogen compound Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary aliphatic amine Primary amine Propargyl-type 1,3-dipolar organic compound Thietane Thioether logp 1.53 ALOGPS logs -2.42 ALOGPS solubility 8.24e-01 g/l ALOGPS logp 0.55 ChemAxon pka_strongest_acidic 14.42 ChemAxon pka_strongest_basic 8.39 ChemAxon iupac 2-amino-N-(2,2,4,4-tetramethylthietan-3-yl)propanamide ChemAxon average_mass 216.344 ChemAxon mono_mass 216.129633962 ChemAxon smiles CC(N)C(=O)NC1C(C)(C)SC1(C)C ChemAxon formula C10H20N2OS ChemAxon inchi InChI=1S/C10H20N2OS/c1-6(11)7(13)12-8-9(2,3)14-10(8,4)5/h6,8H,11H2,1-5H3,(H,12,13) ChemAxon inchikey VAVRZFPMKSCTDL-UHFFFAOYSA-N ChemAxon polar_surface_area 55.12 ChemAxon refractivity 60.25 ChemAxon polarizability 24.16 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 2 ChemAxon donor_count 2 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16275 Specdb::CMs 162762 Specdb::MsMs 57072 Specdb::MsMs 57073 Specdb::MsMs 57074 Specdb::MsMs 112641 Specdb::MsMs 112642 Specdb::MsMs 112643 Specdb::MsMs 2677920 Specdb::MsMs 2677921 Specdb::MsMs 2677922 Specdb::MsMs 3031160 Specdb::MsMs 3031161 Specdb::MsMs 3031162 HMDB34910 #<Reference:0x000055ce315ec8b0>