5367980 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 16 8 8 8 7 7 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 3 4 5 6 6 6 7 7 7 8 8 8 9 9 9 10 11 11 11 13 13 13 2 7 11 5 12 12 10 12 13 24 8 9 10 14 15 16 17 18 19 20 21 22 23 25 26 27 2 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 7 11 -1 3 1 5 -1 3 10 20 7 2 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 23 24 25 26 27 6.3301 6.3301 3.732 2 3.732 2.866 5.4641 4.9641 5.9641 4.5981 7.1962 2.866 2 5.501 4.6541 4.4272 5.4272 6.2741 6.501 4.5981 6.8862 7.7331 7.5062 3.403 2.31 1.4631 1.69 -0.44 0.56 0.06 0.06 -0.94 1.56 -0.94 -0.074 -1.806 -1.44 -0.94 0.56 2.06 0.236 0.463 -0.384 -2.116 -2.343 -1.496 -2.06 -1.4769 -1.25 -0.4031 1.87 2.5969 2.37 1.5231 3 1 11 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 238 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 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C0633000400000000000000000000000000000000000000000000000000000000000001E04140000000C00C14004820802D0000A2800102118404000000000100000802800010000000000000000000002000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 [(Z)-(2-methyl-2-methylsulfinyl-propylidene)amino] N-methylcarbamate IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N-methylcarbamic acid [(Z)-(2-methyl-2-methylsulfinylpropylidene)amino] ester IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 [(<I>Z</I>)-(2-methyl-2-methylsulfinylpropylidene)amino] <I>N</I>-methylcarbamate IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 [(Z)-(2-methyl-2-methylsulfinylpropylidene)amino] N-methylcarbamate IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 [(Z)-(2-methyl-2-methylsulfinyl-propylidene)amino] N-methylcarbamate IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N-methylcarbamic acid [(Z)-(2-methyl-2-methylsulfinyl-propylidene)amino] ester InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C7H14N2O3S/c1-7(2,13(4)11)5-9-12-6(10)8-3/h5H,1-4H3,(H,8,10)/b9-5- InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 BXPMAGSOWXBZHS-UITAMQMPSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 -0.2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 206.07251349 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C7H14N2O3S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 206.27 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC(C)(C=NOC(=O)NC)S(=O)C SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC(C)(/C=N\OC(=O)NC)S(=O)C Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 87 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 206.07251349 13 1 0 1 1 1 0 0 1 -1