49877262 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 17 16 8 8 7 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 -1 2 2 3 3 4 5 5 5 6 6 7 7 7 8 8 9 9 9 10 10 10 6 8 11 22 11 6 7 13 9 10 8 11 12 14 15 16 17 18 19 20 21 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7 5 8 11 12 3 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 2.4713 3.5929 0.5897 1.1249 3.0929 3.9019 2.2839 2.5929 4.4897 4.853 1.3328 2.1869 3.0929 2.6577 1.9864 3.9881 4.8541 4.9913 5.0445 5.4426 4.6614 0 0 4.7617 4.1707 2.5234 3.2228 3.8106 3.8106 4.7617 3.0016 4.1196 3.5016 3.1982 2.6028 5.3783 4.8906 2.6372 2.5 3.366 3.53 4.3112 4.7093 3.9791 3 7 11 -1 Compound Canonicalized 5 2011.01.31 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 158 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C0623000440000000000000000000000000160000000000000000000000000000000001E04100800000828C5C004820802C00208080000900800000000400010000081880000020000200020004000001000B000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 2,2-dimethylthiazolidine-4-carboxylic acid;chloride IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 2,2-dimethyl-4-thiazolidinecarboxylic acid;chloride IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 2,2-dimethyl-1,3-thiazolidine-4-carboxylic acid;chloride IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 2,2-dimethyl-1,3-thiazolidine-4-carboxylic acid;chloride IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 2,2-dimethyl-1,3-thiazolidine-4-carboxylic acid;chloride IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 2,2-dimethylthiazolidine-4-carboxylic acid;chloride InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C6H11NO2S.ClH/c1-6(2)7-4(3-10-6)5(8)9;/h4,7H,3H2,1-2H3,(H,8,9);1H/p-1 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 HQMDAVFIGRLKQG-UHFFFAOYSA-M Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 196.0199025 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C6H11ClNO2S- Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 196.68 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC1(NC(CS1)C(=O)O)C.[Cl-] SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC1(NC(CS1)C(=O)O)C.[Cl-] Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 74.6 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 196.0199025 11 1 0 1 0 0 0 0 2 -1