70702460 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 16 8 8 7 7 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 2 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 12 12 12 13 13 13 15 15 15 16 11 14 7 11 12 14 16 31 16 32 33 8 10 17 9 18 19 11 20 21 14 22 23 13 24 25 15 26 27 28 29 30 2 2 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 7 4 8 10 17 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 7.7496 2 6.0554 3.7601 7.2144 8.9086 4.5691 4.2601 3.2601 5.5202 2.9511 3.7601 2.894 6.2633 2.894 7.9575 4.6661 4.8665 4.1953 3.3249 2.6536 5.2291 6.0087 3.9721 4.3707 2.682 2.2835 2.274 2.894 3.514 7.3432 9.3693 9.0374 2.3931 0.3857 2.033 0.1069 0.7458 1.1059 0.6947 1.6458 1.6458 0.3857 0.6947 -0.8931 -1.3931 1.0548 -2.3931 1.4149 0.0823 1.7747 2.2624 2.2624 1.7747 -0.1617 0.004 -1.4757 -0.7854 -0.8105 -1.5007 -2.3931 -3.0131 -2.3931 0.1394 1.5208 0.4995 3 7 10 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.408 Cactvs xemistry.com 2012.11.26 306 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.408 Cactvs xemistry.com 2012.11.26 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.408 Cactvs xemistry.com 2012.11.26 2 Count Rotatable Bond 5 E_NROTBONDS 3.408 Cactvs xemistry.com 2012.11.26 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.408 Cactvs xemistry.com 2012.11.26 00000371E0733000400000000000000000000000000160000000000000000000000000000000001E04100000000828C18004030003C000000C000110100000000000000900000108000080001A00C0000400000017028000011C08000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.2.0 LexiChem openeye.com 2012.11.26 N-carbamothioyl-2-(5-oxo-1-propyl-pyrrolidin-2-yl)acetamide IUPAC Name CAS-like Style 1 2.2.0 LexiChem openeye.com 2012.11.26 N-carbamothioyl-2-(5-oxo-1-propyl-2-pyrrolidinyl)acetamide IUPAC Name Preferred 1 2.2.0 LexiChem openeye.com 2012.11.26 N-carbamothioyl-2-(5-oxo-1-propylpyrrolidin-2-yl)acetamide IUPAC Name Systematic 1 2.2.0 LexiChem openeye.com 2012.11.26 N-carbamothioyl-2-(5-oxidanylidene-1-propyl-pyrrolidin-2-yl)ethanamide IUPAC Name Traditional 1 2.2.0 LexiChem openeye.com 2012.11.26 2-(5-keto-1-propyl-pyrrolidin-2-yl)-N-thiocarbamoyl-acetamide InChI Standard 1 1.0.4 InChI iupac.org 2012.11.26 InChI=1S/C10H17N3O2S/c1-2-5-13-7(3-4-9(13)15)6-8(14)12-10(11)16/h7H,2-6H2,1H3,(H3,11,12,14,16) InChIKey Standard 1 1.0.4 InChI iupac.org 2012.11.26 CRPIDIWYUDKQPV-UHFFFAOYSA-N Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 243.104148 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 C10H17N3O2S Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 243.32588 SMILES Canonical 1 1.9.0 OEChem openeye.com 2012.11.26 CCCN1C(CCC1=O)CC(=O)NC(=S)N SMILES Isomeric 1 1.9.0 OEChem openeye.com 2012.11.26 CCCN1C(CCC1=O)CC(=O)NC(=S)N Topological Polar Surface Area 7 E_TPSA 3.408 Cactvs xemistry.com 2012.11.26 108 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 243.104148 16 1 0 1 0 0 0 0 1 10