53015574 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 16 8 8 7 7 6 6 6 6 6 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 2 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 11 12 12 13 13 14 15 16 16 17 18 19 19 20 20 20 15 19 11 18 6 11 30 13 18 20 7 8 21 9 22 23 10 24 25 10 26 27 28 29 12 14 16 14 15 31 17 17 32 33 19 34 35 36 37 38 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 2 1 1 1 1 1 1 1 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 8.8067 5.3147 10.5769 4.4487 8.8067 3.5827 2.6691 3.4782 2 2.5 5.3147 6.1808 7.9128 7.0468 7.9128 6.1808 7.0468 9.7128 9.7128 8.7952 4.1026 2.9791 2.1675 3.543 4.0982 1.5851 1.4984 1.9336 2.6916 4.4487 7.0468 5.6438 7.0468 10.3237 9.9219 8.1752 8.788 9.4151 1.6186 -1.4161 -0.4403 0.0839 -0.4508 -0.4161 -0.0094 -1.4106 -0.7525 -1.6186 -0.4161 0.0839 0.0839 -0.4161 1.0839 1.0839 1.5839 0.0631 1.1047 -1.4507 -0.7538 0.5276 0.355 -2.0272 -1.4106 -0.2918 -1.117 -1.8707 -2.2082 0.7039 -1.0361 1.3939 2.2039 0.9986 1.6884 -1.4435 -2.0707 -1.4579 8 8 8 8 8 8 12 12 13 13 15 16 14 16 14 15 17 17 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 395 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07330004000000000000000000000000001800000003C4000000000000000B10000001E04100000000C28C5D804B2C183C00008880225525000820000250A1008889D0864C8082032E09591842108609600E8C9871C88008E10000040000001002000008000000200000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-cyclopentyl-4-methyl-3-oxo-1,4-benzothiazine-6-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-cyclopentyl-4-methyl-3-oxo-1,4-benzothiazine-6-carboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-cyclopentyl-4-methyl-3-oxo-1,4-benzothiazine-6-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-cyclopentyl-4-methyl-3-oxo-1,4-benzothiazine-6-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-cyclopentyl-4-methyl-3-oxidanylidene-1,4-benzothiazine-6-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-cyclopentyl-3-keto-4-methyl-1,4-benzothiazine-6-carboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C15H18N2O2S/c1-17-12-8-10(6-7-13(12)20-9-14(17)18)15(19)16-11-4-2-3-5-11/h6-8,11H,2-5,9H2,1H3,(H,16,19) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 UWCDFILBRLMIHO-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2.1 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 290.10889899 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C15H18N2O2S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 290.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CN1C(=O)CSC2=C1C=C(C=C2)C(=O)NC3CCCC3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CN1C(=O)CSC2=C1C=C(C=C2)C(=O)NC3CCCC3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 74.7 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 290.10889899 20 0 0 0 0 0 0 0 1 -1