1.0 2016-09-30 22:47:12 UTC 2020-04-22 15:08:34 UTC BMDB0001526 BMDB01526 S-Acetyldihydrolipoamide 6-S-Acetyldihydrolipoamide 6-Acetylsulfanyl-8-sulfanyl-octanamide S-[6-Amino-6-oxo-1-(2-sulfanylethyl)hexyl] ethanethioate S-[6-Amino-6-oxo-1-(2-sulfanylethyl)hexyl] ethanethioic acid C10H19NO2S2 249.393 249.085720237 6-(acetylsulfanyl)-8-sulfanyloctanamide S(6)-acetyldihydrolipoamide CC(=O)SC(CCS)CCCCC(N)=O InChI=1S/C10H19NO2S2/c1-8(12)15-9(6-7-14)4-2-3-5-10(11)13/h9,14H,2-7H2,1H3,(H2,11,13) ARGXEXVCHMNAQU-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 Carbothioic S-esters Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Primary carboxylic acid amides Sulfenyl compounds Thioesters Aliphatic acyclic compound Alkylthiol Carbonyl group Carbothioic s-ester Carboxamide group Carboxylic acid derivative Fatty amide Hydrocarbon derivative Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Organosulfur compound Primary carboxylic acid amide Sulfenyl compound Thiocarboxylic acid ester Thiocarboxylic acid or derivatives Aliphatic acyclic compounds S-substituted dihydrolipoamide a small molecule Solid logp 2.46 ALOGPS logs -3.85 ALOGPS logp 1.24 ChemAxon pka_strongest_acidic 10.19 ChemAxon pka_strongest_basic -0.58 ChemAxon iupac 6-(acetylsulfanyl)-8-sulfanyloctanamide ChemAxon average_mass 249.393 ChemAxon mono_mass 249.085720237 ChemAxon smiles CC(=O)SC(CCS)CCCCC(N)=O ChemAxon formula C10H19NO2S2 ChemAxon inchi InChI=1S/C10H19NO2S2/c1-8(12)15-9(6-7-14)4-2-3-5-10(11)13/h9,14H,2-7H2,1H3,(H2,11,13) ChemAxon inchikey ARGXEXVCHMNAQU-UHFFFAOYSA-N ChemAxon polar_surface_area 60.16 ChemAxon refractivity 67.23 ChemAxon polarizability 27.66 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 2 ChemAxon donor_count 2 ChemAxon physiological_charge 0 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 10907 Specdb::CMs 164262 Specdb::MsMs 29732 Specdb::MsMs 29733 Specdb::MsMs 29734 Specdb::MsMs 36290 Specdb::MsMs 36291 Specdb::MsMs 36292 Specdb::MsMs 2770016 Specdb::MsMs 2770017 Specdb::MsMs 2770018 Specdb::MsMs 2908179 Specdb::MsMs 2908180 Specdb::MsMs 2908181 Specdb::NmrOneD 336598 Specdb::NmrOneD 336599 Specdb::NmrOneD 336600 Specdb::NmrOneD 336601 Specdb::NmrOneD 336602 Specdb::NmrOneD 336603 Specdb::NmrOneD 336604 Specdb::NmrOneD 336605 Specdb::NmrOneD 336606 Specdb::NmrOneD 336607 Specdb::NmrOneD 336608 Specdb::NmrOneD 336609 Specdb::NmrOneD 336610 Specdb::NmrOneD 336611 Specdb::NmrOneD 336612 Specdb::NmrOneD 336613 Specdb::NmrOneD 336614 Specdb::NmrOneD 336615 Specdb::NmrOneD 336616 Specdb::NmrOneD 336617 1046 FDB022671 C01136 1076 16807 6299