1.0 2016-09-30 23:20:44 UTC 2020-04-22 15:17:02 UTC BMDB0006239 BMDB06239 S-aminomethyldihydrolipoamide 8-[(Aminomethyl)sulfanyl]-6-sulfanyloctanamide C9H20N2OS2 236.398 236.101704652 8-[(aminomethyl)sulfanyl]-6-sulfanyloctanamide 8-[(aminomethyl)sulfanyl]-6-sulfanyloctanamide NCSCCC(S)CCCCC(N)=O InChI=1S/C9H20N2OS2/c10-7-14-6-5-8(13)3-1-2-4-9(11)12/h8,13H,1-7,10H2,(H2,11,12) KALYVIJGKPJBQV-UHFFFAOYSA-N belongs to the class of organic compounds known as fatty amides. These are carboxylic acid amide derivatives of fatty acids, that are formed from a fatty acid and an amine. Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty amides Fatty amides Alkylthiols Carbonyl compounds Dialkylthioethers Hydrocarbon derivatives Monoalkylamines Organic oxides Organopnictogen compounds Primary carboxylic acid amides Sulfenyl compounds Thiohemiaminal derivatives Aliphatic acyclic compound Alkylthiol Carbonyl group Carboxamide group Carboxylic acid derivative Dialkylthioether Fatty amide Hemithioaminal Hydrocarbon derivative Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Organosulfur compound Primary aliphatic amine Primary carboxylic acid amide Sulfenyl compound Thioether Aliphatic acyclic compounds S-substituted dihydrolipoamide Solid logp 1.57 ALOGPS logs -3.58 ALOGPS logp 0.52 ChemAxon pka_strongest_acidic 10.07 ChemAxon pka_strongest_basic 8.32 ChemAxon iupac 8-[(aminomethyl)sulfanyl]-6-sulfanyloctanamide ChemAxon average_mass 236.398 ChemAxon mono_mass 236.101704652 ChemAxon smiles NCSCCC(S)CCCCC(N)=O ChemAxon formula C9H20N2OS2 ChemAxon inchi InChI=1S/C9H20N2OS2/c10-7-14-6-5-8(13)3-1-2-4-9(11)12/h8,13H,1-7,10H2,(H2,11,12) ChemAxon inchikey KALYVIJGKPJBQV-UHFFFAOYSA-N ChemAxon polar_surface_area 69.11 ChemAxon refractivity 65.5 ChemAxon polarizability 27.34 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 2 ChemAxon donor_count 3 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 3204 Specdb::CMs 153841 Specdb::MsMs 179664 Specdb::MsMs 179665 Specdb::MsMs 179666 Specdb::MsMs 181998 Specdb::MsMs 181999 Specdb::MsMs 182000 Specdb::MsMs 2305341 Specdb::MsMs 2305342 Specdb::MsMs 2305343 Specdb::MsMs 2657641 Specdb::MsMs 2657642 Specdb::MsMs 2657643 FDB023853 21238679 24906333 50622 1444052