65568 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 28 29 30 31 32 33 34 35 36 37 38 39 16 15 8 8 7 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 5 5 5 6 6 6 7 7 8 8 8 9 9 9 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 2 7 3 4 10 14 6 8 9 7 16 17 18 19 11 20 21 12 22 23 13 24 25 26 27 28 29 30 31 32 33 34 15 35 36 37 38 39 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 3 4 10 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 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 5.4641 4.5981 3.732 5.0981 8.0622 7.1962 6.3301 8.9282 8.0622 4.0981 9.7942 8.9282 4.5981 2.866 2 7.5947 6.7976 5.9316 6.7287 9.3267 8.5297 7.4516 7.8501 3.6231 3.6231 9.4842 10.3312 10.1042 8.6182 9.4651 9.2382 5.135 4.9081 4.0611 3.2646 2.4675 1.69 1.4631 2.31 0.384 -0.116 -0.616 -0.9821 -0.116 0.384 -0.116 0.384 -1.116 0.75 -0.116 -1.616 1.616 -0.116 -0.616 0.8589 0.8589 -0.591 -0.591 0.8589 0.8589 -1.0084 -1.6986 1.1485 0.3515 -0.653 -0.426 0.4209 -2.153 -1.926 -1.0791 1.306 2.153 1.926 0.3589 0.3589 -0.0791 -0.926 -1.153 3 2 10 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 198 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 9 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E0723002400000000000000000000000000000000000000000000000000000000000001E0C000020000000EDC0068200030001100040000000800000000000000000000800000000000000000000000000008000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[ethoxy(ethyl)phosphoryl]sulfanyl-N,N-diethyl-ethanamine IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[[ethoxy(ethyl)phosphoryl]thio]-N,N-diethylethanamine IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[ethoxy(ethyl)phosphoryl]sulfanyl-<I>N</I>,<I>N</I>-diethylethanamine IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[ethoxy(ethyl)phosphoryl]sulfanyl-N,N-diethylethanamine IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[ethoxy(ethyl)phosphoryl]sulfanyl-N,N-diethyl-ethanamine IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[[ethoxy(ethyl)phosphoryl]thio]ethyl-diethyl-amine InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C10H24NO2PS/c1-5-11(6-2)9-10-15-14(12,8-4)13-7-3/h5-10H2,1-4H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 QXRUNSUMQBTCQS-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2019.06.18 1.8 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 253.12653718 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C10H24NO2PS Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 253.34 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCN(CC)CCSP(=O)(CC)OCC SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCN(CC)CCSP(=O)(CC)OCC Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 54.8 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 253.12653718 15 1 0 1 0 0 0 0 1 -1