3-amino-4,4,4-trifluoro-1-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)butan-1-one;8-benzylsulfonyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;8-(4-chlorophenyl)sulfonyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;2-(3,3-difluorocyclobutyl)-1-(3-propan-2-yl-3,9-diazabicyclo[3.3.1]nonan-9-yl)ethanone;(1R,5S)-8-[(1-methylpyrazol-4-yl)methoxy]-3-propan-2-yl-3-azabicyclo[3.2.1]octane;(3-methylsulfanylphenyl)-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone;(4-methylsulfanylphenyl)-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone;8-(4-methylsulfanylphenyl)sulfonyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;(3-propan-2-yl-3,9-diazabicyclo[3.3.1]nonan-9-yl)-(thietan-3-yl)methanone;3-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)cyclobutane-1-carbonitrile;5-[(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]-2-(2,2,2-trifluoroethyl)-1,3-thiazole;1-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-2-(2,2,3,3-tetrafluorocyclobutyl)ethanone;3-propan-2-yl-8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane

C195H300ClF15N30O14S8 — CID 162066598

IUPAC3-amino-4,4,4-trifluoro-1-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)butan-1-one;8-benzylsulfonyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;8-(4-chlorophenyl)sulfonyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;2-(3,3-difluorocyclobutyl)-1-(3-propan-2-yl-3,9-diazabicyclo[3.3.1]nonan-9-yl)ethanone;(1R,5S)-8-[(1-methylpyrazol-4-yl)methoxy]-3-propan-2-yl-3-azabicyclo[3.2.1]octane;(3-methylsulfanylphenyl)-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone;(4-methylsulfanylphenyl)-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone;8-(4-methylsulfanylphenyl)sulfonyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;(3-propan-2-yl-3,9-diazabicyclo[3.3.1]nonan-9-yl)-(thietan-3-yl)methanone;3-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)cyclobutane-1-carbonitrile;5-[(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]-2-(2,2,2-trifluoroethyl)-1,3-thiazole;1-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-2-(2,2,3,3-tetrafluorocyclobutyl)ethanone;3-propan-2-yl-8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane
SMILESCC(C)N1CC2CCC(C1)N2C(=O)C1CC(C#N)C1.CC(C)N1CC2CCC(C1)N2C(=O)CC(N)C(F)(F)F.CC(C)N1CC2CCC(C1)N2C(=O)CC1CC(F)(F)C1(F)F.CC(C)N1CC2CCC(C1)N2CC(F)(F)F.CC(C)N1CC2CCC(C1)N2Cc1cnc(CC(F)(F)F)s1.CC(C)N1CC2CCC(C1)N2S(=O)(=O)Cc1ccccc1.CC(C)N1CC2CCC(C1)N2S(=O)(=O)c1ccc(Cl)cc1.CC(C)N1CC2CCCC(C1)N2C(=O)C1CSC1.CC(C)N1CC2CCCC(C1)N2C(=O)CC1CC(F)(F)C1.CC(C)N1C[C@H]2CC[C@@H](C1)C2OCc1cnn(C)c1.CSc1ccc(C(=O)N2C3CCC2CN(C(C)C)C3)cc1.CSc1ccc(S(=O)(=O)N2C3CCC2CN(C(C)C)C3)cc1.CSc1cccc(C(=O)N2C3CCC2CN(C(C)C)C3)c1
InChIInChI=1S/2C17H24N2OS.C16H26F2N2O.C16H24N2O2S2.C16H24N2O2S.C15H21ClN2O2S.C15H22F4N2O.C15H22F3N3S.C15H25N3O.C15H23N3O.C14H24N2OS.C13H22F3N3O.C11H19F3N2/c1-12(2)18-10-14-6-7-15(11-18)19(14)17(20)13-4-8-16(21-3)9-5-13;1-12(2)18-10-14-7-8-15(11-18)19(14)17(20)13-5-4-6-16(9-13)21-3;1-11(2)19-9-13-4-3-5-14(10-19)20(13)15(21)6-12-7-16(17,18)8-12;1-12(2)17-10-13-4-5-14(11-17)18(13)22(19,20)16-8-6-15(21-3)7-9-16;1-13(2)17-10-15-8-9-16(11-17)18(15)21(19,20)12-14-6-4-3-5-7-14;1-11(2)17-9-13-5-6-14(10-17)18(13)21(19,20)15-7-3-12(16)4-8-15;1-9(2)20-7-11-3-4-12(8-20)21(11)13(22)5-10-6-14(16,17)15(10,18)19;1-10(2)20-7-11-3-4-12(8-20)21(11)9-13-6-19-14(22-13)5-15(16,17)18;1-11(2)18-8-13-4-5-14(9-18)15(13)19-10-12-6-16-17(3)7-12;1-10(2)17-8-13-3-4-14(9-17)18(13)15(19)12-5-11(6-12)7-16;1-10(2)15-6-12-4-3-5-13(7-15)16(12)14(17)11-8-18-9-11;1-8(2)18-6-9-3-4-10(7-18)19(9)12(20)5-11(17)13(14,15)16;1-8(2)15-5-9-3-4-10(6-15)16(9)7-11(12,13)14/h4-5,8-9,12,14-15H,6-7,10-11H2,1-3H3;4-6,9,12,14-15H,7-8,10-11H2,1-3H3;11-14H,3-10H2,1-2H3;6-9,12-14H,4-5,10-11H2,1-3H3;3-7,13,15-16H,8-12H2,1-2H3;3-4,7-8,11,13-14H,5-6,9-10H2,1-2H3;9-12H,3-8H2,1-2H3;6,10-12H,3-5,7-9H2,1-2H3;6-7,11,13-15H,4-5,8-10H2,1-3H3;10-14H,3-6,8-9H2,1-2H3;10-13H,3-9H2,1-2H3;8-11H,3-7,17H2,1-2H3;8-10H,3-7H2,1-2H3/t;;;;;;;;13-,14+,15?;;;;
InChIKeyZANQCXYPGNDUFR-RSXGSFSYSA-N
MW3865.70 g/mol
LogP31.43
Rot. Bonds40

About 3-amino-4,4,4-trifluoro-1-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)butan-1-one;8-benzylsulfonyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;8-(4-chlorophenyl)sulfonyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;2-(3,3-difluorocyclobutyl)-1-(3-propan-2-yl-3,9-diazabicyclo[3.3.1]nonan-9-yl)ethanone;(1R,5S)-8-[(1-methylpyrazol-4-yl)methoxy]-3-propan-2-yl-3-azabicyclo[3.2.1]octane;(3-methylsulfanylphenyl)-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone;(4-methylsulfanylphenyl)-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone;8-(4-methylsulfanylphenyl)sulfonyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;(3-propan-2-yl-3,9-diazabicyclo[3.3.1]nonan-9-yl)-(thietan-3-yl)methanone;3-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)cyclobutane-1-carbonitrile;5-[(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]-2-(2,2,2-trifluoroethyl)-1,3-thiazole;1-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-2-(2,2,3,3-tetrafluorocyclobutyl)ethanone;3-propan-2-yl-8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane

3-amino-4,4,4-trifluoro-1-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)butan-1-one;8-benzylsulfonyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;8-(4-chlorophenyl)sulfonyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;2-(3,3-difluorocyclobutyl)-1-(3-propan-2-yl-3,9-diazabicyclo[3.3.1]nonan-9-yl)ethanone;(1R,5S)-8-[(1-methylpyrazol-4-yl)methoxy]-3-propan-2-yl-3-azabicyclo[3.2.1]octane;(3-methylsulfanylphenyl)-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone;(4-methylsulfanylphenyl)-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone;8-(4-methylsulfanylphenyl)sulfonyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;(3-propan-2-yl-3,9-diazabicyclo[3.3.1]nonan-9-yl)-(thietan-3-yl)methanone;3-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)cyclobutane-1-carbonitrile;5-[(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]-2-(2,2,2-trifluoroethyl)-1,3-thiazole;1-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-2-(2,2,3,3-tetrafluorocyclobutyl)ethanone;3-propan-2-yl-8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane (PubChem CID 162066598) has the molecular formula C195H300ClF15N30O14S8 and a molecular weight of 3865.70 g/mol. Its IUPAC name is 3-amino-4,4,4-trifluoro-1-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)butan-1-one;8-benzylsulfonyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;8-(4-chlorophenyl)sulfonyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;2-(3,3-difluorocyclobutyl)-1-(3-propan-2-yl-3,9-diazabicyclo[3.3.1]nonan-9-yl)ethanone;(1R,5S)-8-[(1-methylpyrazol-4-yl)methoxy]-3-propan-2-yl-3-azabicyclo[3.2.1]octane;(3-methylsulfanylphenyl)-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone;(4-methylsulfanylphenyl)-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone;8-(4-methylsulfanylphenyl)sulfonyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;(3-propan-2-yl-3,9-diazabicyclo[3.3.1]nonan-9-yl)-(thietan-3-yl)methanone;3-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)cyclobutane-1-carbonitrile;5-[(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]-2-(2,2,2-trifluoroethyl)-1,3-thiazole;1-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-2-(2,2,3,3-tetrafluorocyclobutyl)ethanone;3-propan-2-yl-8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-amino-4,4,4-trifluoro-1-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)butan-1-one;8-benzylsulfonyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;8-(4-chlorophenyl)sulfonyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;2-(3,3-difluorocyclobutyl)-1-(3-propan-2-yl-3,9-diazabicyclo[3.3.1]nonan-9-yl)ethanone;(1R,5S)-8-[(1-methylpyrazol-4-yl)methoxy]-3-propan-2-yl-3-azabicyclo[3.2.1]octane;(3-methylsulfanylphenyl)-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone;(4-methylsulfanylphenyl)-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone;8-(4-methylsulfanylphenyl)sulfonyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;(3-propan-2-yl-3,9-diazabicyclo[3.3.1]nonan-9-yl)-(thietan-3-yl)methanone;3-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)cyclobutane-1-carbonitrile;5-[(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]-2-(2,2,2-trifluoroethyl)-1,3-thiazole;1-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-2-(2,2,3,3-tetrafluorocyclobutyl)ethanone;3-propan-2-yl-8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane
PubChem CID162066598
Molecular FormulaC195H300ClF15N30O14S8
Molecular Weight3865.70 g/mol
Exact Mass3862.09
IUPAC Name3-amino-4,4,4-trifluoro-1-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)butan-1-one;8-benzylsulfonyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;8-(4-chlorophenyl)sulfonyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;2-(3,3-difluorocyclobutyl)-1-(3-propan-2-yl-3,9-diazabicyclo[3.3.1]nonan-9-yl)ethanone;(1R,5S)-8-[(1-methylpyrazol-4-yl)methoxy]-3-propan-2-yl-3-azabicyclo[3.2.1]octane;(3-methylsulfanylphenyl)-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone;(4-methylsulfanylphenyl)-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone;8-(4-methylsulfanylphenyl)sulfonyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;(3-propan-2-yl-3,9-diazabicyclo[3.3.1]nonan-9-yl)-(thietan-3-yl)methanone;3-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)cyclobutane-1-carbonitrile;5-[(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]-2-(2,2,2-trifluoroethyl)-1,3-thiazole;1-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-2-(2,2,3,3-tetrafluorocyclobutyl)ethanone;3-propan-2-yl-8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane
SMILESCC(C)N1CC2CCC(C1)N2C(=O)C1CC(C#N)C1.CC(C)N1CC2CCC(C1)N2C(=O)CC(N)C(F)(F)F.CC(C)N1CC2CCC(C1)N2C(=O)CC1CC(F)(F)C1(F)F.CC(C)N1CC2CCC(C1)N2CC(F)(F)F.CC(C)N1CC2CCC(C1)N2Cc1cnc(CC(F)(F)F)s1.CC(C)N1CC2CCC(C1)N2S(=O)(=O)Cc1ccccc1.CC(C)N1CC2CCC(C1)N2S(=O)(=O)c1ccc(Cl)cc1.CC(C)N1CC2CCCC(C1)N2C(=O)C1CSC1.CC(C)N1CC2CCCC(C1)N2C(=O)CC1CC(F)(F)C1.CC(C)N1C[C@H]2CC[C@@H](C1)C2OCc1cnn(C)c1.CSc1ccc(C(=O)N2C3CCC2CN(C(C)C)C3)cc1.CSc1ccc(S(=O)(=O)N2C3CCC2CN(C(C)C)C3)cc1.CSc1cccc(C(=O)N2C3CCC2CN(C(C)C)C3)c1
InChIInChI=1S/2C17H24N2OS.C16H26F2N2O.C16H24N2O2S2.C16H24N2O2S.C15H21ClN2O2S.C15H22F4N2O.C15H22F3N3S.C15H25N3O.C15H23N3O.C14H24N2OS.C13H22F3N3O.C11H19F3N2/c1-12(2)18-10-14-6-7-15(11-18)19(14)17(20)13-4-8-16(21-3)9-5-13;1-12(2)18-10-14-7-8-15(11-18)19(14)17(20)13-5-4-6-16(9-13)21-3;1-11(2)19-9-13-4-3-5-14(10-19)20(13)15(21)6-12-7-16(17,18)8-12;1-12(2)17-10-13-4-5-14(11-17)18(13)22(19,20)16-8-6-15(21-3)7-9-16;1-13(2)17-10-15-8-9-16(11-17)18(15)21(19,20)12-14-6-4-3-5-7-14;1-11(2)17-9-13-5-6-14(10-17)18(13)21(19,20)15-7-3-12(16)4-8-15;1-9(2)20-7-11-3-4-12(8-20)21(11)13(22)5-10-6-14(16,17)15(10,18)19;1-10(2)20-7-11-3-4-12(8-20)21(11)9-13-6-19-14(22-13)5-15(16,17)18;1-11(2)18-8-13-4-5-14(9-18)15(13)19-10-12-6-16-17(3)7-12;1-10(2)17-8-13-3-4-14(9-17)18(13)15(19)12-5-11(6-12)7-16;1-10(2)15-6-12-4-3-5-13(7-15)16(12)14(17)11-8-18-9-11;1-8(2)18-6-9-3-4-10(7-18)19(9)12(20)5-11(17)13(14,15)16;1-8(2)15-5-9-3-4-10(6-15)16(9)7-11(12,13)14/h4-5,8-9,12,14-15H,6-7,10-11H2,1-3H3;4-6,9,12,14-15H,7-8,10-11H2,1-3H3;11-14H,3-10H2,1-2H3;6-9,12-14H,4-5,10-11H2,1-3H3;3-7,13,15-16H,8-12H2,1-2H3;3-4,7-8,11,13-14H,5-6,9-10H2,1-2H3;9-12H,3-8H2,1-2H3;6,10-12H,3-5,7-9H2,1-2H3;6-7,11,13-15H,4-5,8-10H2,1-3H3;10-14H,3-6,8-9H2,1-2H3;10-13H,3-9H2,1-2H3;8-11H,3-7,17H2,1-2H3;8-10H,3-7H2,1-2H3/t;;;;;;;;13-,14+,15?;;;;
InChIKeyZANQCXYPGNDUFR-RSXGSFSYSA-N
XLogP31.43
TPSA392.66 Ų
H-Bond Donors1
H-Bond Acceptors39
Rotatable Bonds40
Heavy Atoms263
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003865.70
LogP ≤ 531.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 3-amino-4,4,4-trifluoro-1-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)butan-1-one;8-benzylsulfonyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;8-(4-chlorophenyl)sulfonyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;2-(3,3-difluorocyclobutyl)-1-(3-propan-2-yl-3,9-diazabicyclo[3.3.1]nonan-9-yl)ethanone;(1R,5S)-8-[(1-methylpyrazol-4-yl)methoxy]-3-propan-2-yl-3-azabicyclo[3.2.1]octane;(3-methylsulfanylphenyl)-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone;(4-methylsulfanylphenyl)-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone;8-(4-methylsulfanylphenyl)sulfonyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;(3-propan-2-yl-3,9-diazabicyclo[3.3.1]nonan-9-yl)-(thietan-3-yl)methanone;3-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)cyclobutane-1-carbonitrile;5-[(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]-2-(2,2,2-trifluoroethyl)-1,3-thiazole;1-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-2-(2,2,3,3-tetrafluorocyclobutyl)ethanone;3-propan-2-yl-8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane with MolForge

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What is the IUPAC name of 3-amino-4,4,4-trifluoro-1-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)butan-1-one;8-benzylsulfonyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;8-(4-chlorophenyl)sulfonyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;2-(3,3-difluorocyclobutyl)-1-(3-propan-2-yl-3,9-diazabicyclo[3.3.1]nonan-9-yl)ethanone;(1R,5S)-8-[(1-methylpyrazol-4-yl)methoxy]-3-propan-2-yl-3-azabicyclo[3.2.1]octane;(3-methylsulfanylphenyl)-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone;(4-methylsulfanylphenyl)-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone;8-(4-methylsulfanylphenyl)sulfonyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;(3-propan-2-yl-3,9-diazabicyclo[3.3.1]nonan-9-yl)-(thietan-3-yl)methanone;3-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)cyclobutane-1-carbonitrile;5-[(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]-2-(2,2,2-trifluoroethyl)-1,3-thiazole;1-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-2-(2,2,3,3-tetrafluorocyclobutyl)ethanone;3-propan-2-yl-8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane?
The IUPAC name of 3-amino-4,4,4-trifluoro-1-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)butan-1-one;8-benzylsulfonyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;8-(4-chlorophenyl)sulfonyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;2-(3,3-difluorocyclobutyl)-1-(3-propan-2-yl-3,9-diazabicyclo[3.3.1]nonan-9-yl)ethanone;(1R,5S)-8-[(1-methylpyrazol-4-yl)methoxy]-3-propan-2-yl-3-azabicyclo[3.2.1]octane;(3-methylsulfanylphenyl)-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone;(4-methylsulfanylphenyl)-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone;8-(4-methylsulfanylphenyl)sulfonyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;(3-propan-2-yl-3,9-diazabicyclo[3.3.1]nonan-9-yl)-(thietan-3-yl)methanone;3-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)cyclobutane-1-carbonitrile;5-[(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]-2-(2,2,2-trifluoroethyl)-1,3-thiazole;1-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-2-(2,2,3,3-tetrafluorocyclobutyl)ethanone;3-propan-2-yl-8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane (CID 162066598) is 3-amino-4,4,4-trifluoro-1-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)butan-1-one;8-benzylsulfonyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;8-(4-chlorophenyl)sulfonyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;2-(3,3-difluorocyclobutyl)-1-(3-propan-2-yl-3,9-diazabicyclo[3.3.1]nonan-9-yl)ethanone;(1R,5S)-8-[(1-methylpyrazol-4-yl)methoxy]-3-propan-2-yl-3-azabicyclo[3.2.1]octane;(3-methylsulfanylphenyl)-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone;(4-methylsulfanylphenyl)-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone;8-(4-methylsulfanylphenyl)sulfonyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;(3-propan-2-yl-3,9-diazabicyclo[3.3.1]nonan-9-yl)-(thietan-3-yl)methanone;3-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)cyclobutane-1-carbonitrile;5-[(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]-2-(2,2,2-trifluoroethyl)-1,3-thiazole;1-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-2-(2,2,3,3-tetrafluorocyclobutyl)ethanone;3-propan-2-yl-8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 3-amino-4,4,4-trifluoro-1-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)butan-1-one;8-benzylsulfonyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;8-(4-chlorophenyl)sulfonyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;2-(3,3-difluorocyclobutyl)-1-(3-propan-2-yl-3,9-diazabicyclo[3.3.1]nonan-9-yl)ethanone;(1R,5S)-8-[(1-methylpyrazol-4-yl)methoxy]-3-propan-2-yl-3-azabicyclo[3.2.1]octane;(3-methylsulfanylphenyl)-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone;(4-methylsulfanylphenyl)-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone;8-(4-methylsulfanylphenyl)sulfonyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;(3-propan-2-yl-3,9-diazabicyclo[3.3.1]nonan-9-yl)-(thietan-3-yl)methanone;3-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)cyclobutane-1-carbonitrile;5-[(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]-2-(2,2,2-trifluoroethyl)-1,3-thiazole;1-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-2-(2,2,3,3-tetrafluorocyclobutyl)ethanone;3-propan-2-yl-8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane?
The canonical SMILES for 3-amino-4,4,4-trifluoro-1-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)butan-1-one;8-benzylsulfonyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;8-(4-chlorophenyl)sulfonyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;2-(3,3-difluorocyclobutyl)-1-(3-propan-2-yl-3,9-diazabicyclo[3.3.1]nonan-9-yl)ethanone;(1R,5S)-8-[(1-methylpyrazol-4-yl)methoxy]-3-propan-2-yl-3-azabicyclo[3.2.1]octane;(3-methylsulfanylphenyl)-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone;(4-methylsulfanylphenyl)-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone;8-(4-methylsulfanylphenyl)sulfonyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;(3-propan-2-yl-3,9-diazabicyclo[3.3.1]nonan-9-yl)-(thietan-3-yl)methanone;3-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)cyclobutane-1-carbonitrile;5-[(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]-2-(2,2,2-trifluoroethyl)-1,3-thiazole;1-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-2-(2,2,3,3-tetrafluorocyclobutyl)ethanone;3-propan-2-yl-8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane is CC(C)N1CC2CCC(C1)N2C(=O)C1CC(C#N)C1.CC(C)N1CC2CCC(C1)N2C(=O)CC(N)C(F)(F)F.CC(C)N1CC2CCC(C1)N2C(=O)CC1CC(F)(F)C1(F)F.CC(C)N1CC2CCC(C1)N2CC(F)(F)F.CC(C)N1CC2CCC(C1)N2Cc1cnc(CC(F)(F)F)s1.CC(C)N1CC2CCC(C1)N2S(=O)(=O)Cc1ccccc1.CC(C)N1CC2CCC(C1)N2S(=O)(=O)c1ccc(Cl)cc1.CC(C)N1CC2CCCC(C1)N2C(=O)C1CSC1.CC(C)N1CC2CCCC(C1)N2C(=O)CC1CC(F)(F)C1.CC(C)N1C[C@H]2CC[C@@H](C1)C2OCc1cnn(C)c1.CSc1ccc(C(=O)N2C3CCC2CN(C(C)C)C3)cc1.CSc1ccc(S(=O)(=O)N2C3CCC2CN(C(C)C)C3)cc1.CSc1cccc(C(=O)N2C3CCC2CN(C(C)C)C3)c1.
What is the InChIKey of 3-amino-4,4,4-trifluoro-1-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)butan-1-one;8-benzylsulfonyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;8-(4-chlorophenyl)sulfonyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;2-(3,3-difluorocyclobutyl)-1-(3-propan-2-yl-3,9-diazabicyclo[3.3.1]nonan-9-yl)ethanone;(1R,5S)-8-[(1-methylpyrazol-4-yl)methoxy]-3-propan-2-yl-3-azabicyclo[3.2.1]octane;(3-methylsulfanylphenyl)-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone;(4-methylsulfanylphenyl)-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone;8-(4-methylsulfanylphenyl)sulfonyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;(3-propan-2-yl-3,9-diazabicyclo[3.3.1]nonan-9-yl)-(thietan-3-yl)methanone;3-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)cyclobutane-1-carbonitrile;5-[(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]-2-(2,2,2-trifluoroethyl)-1,3-thiazole;1-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-2-(2,2,3,3-tetrafluorocyclobutyl)ethanone;3-propan-2-yl-8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane?
The InChIKey is ZANQCXYPGNDUFR-RSXGSFSYSA-N. The full InChI is InChI=1S/2C17H24N2OS.C16H26F2N2O.C16H24N2O2S2.C16H24N2O2S.C15H21ClN2O2S.C15H22F4N2O.C15H22F3N3S.C15H25N3O.C15H23N3O.C14H24N2OS.C13H22F3N3O.C11H19F3N2/c1-12(2)18-10-14-6-7-15(11-18)19(14)17(20)13-4-8-16(21-3)9-5-13;1-12(2)18-10-14-7-8-15(11-18)19(14)17(20)13-5-4-6-16(9-13)21-3;1-11(2)19-9-13-4-3-5-14(10-19)20(13)15(21)6-12-7-16(17,18)8-12;1-12(2)17-10-13-4-5-14(11-17)18(13)22(19,20)16-8-6-15(21-3)7-9-16;1-13(2)17-10-15-8-9-16(11-17)18(15)21(19,20)12-14-6-4-3-5-7-14;1-11(2)17-9-13-5-6-14(10-17)18(13)21(19,20)15-7-3-12(16)4-8-15;1-9(2)20-7-11-3-4-12(8-20)21(11)13(22)5-10-6-14(16,17)15(10,18)19;1-10(2)20-7-11-3-4-12(8-20)21(11)9-13-6-19-14(22-13)5-15(16,17)18;1-11(2)18-8-13-4-5-14(9-18)15(13)19-10-12-6-16-17(3)7-12;1-10(2)17-8-13-3-4-14(9-17)18(13)15(19)12-5-11(6-12)7-16;1-10(2)15-6-12-4-3-5-13(7-15)16(12)14(17)11-8-18-9-11;1-8(2)18-6-9-3-4-10(7-18)19(9)12(20)5-11(17)13(14,15)16;1-8(2)15-5-9-3-4-10(6-15)16(9)7-11(12,13)14/h4-5,8-9,12,14-15H,6-7,10-11H2,1-3H3;4-6,9,12,14-15H,7-8,10-11H2,1-3H3;11-14H,3-10H2,1-2H3;6-9,12-14H,4-5,10-11H2,1-3H3;3-7,13,15-16H,8-12H2,1-2H3;3-4,7-8,11,13-14H,5-6,9-10H2,1-2H3;9-12H,3-8H2,1-2H3;6,10-12H,3-5,7-9H2,1-2H3;6-7,11,13-15H,4-5,8-10H2,1-3H3;10-14H,3-6,8-9H2,1-2H3;10-13H,3-9H2,1-2H3;8-11H,3-7,17H2,1-2H3;8-10H,3-7H2,1-2H3/t;;;;;;;;13-,14+,15?;;;;.
What are the key properties of 3-amino-4,4,4-trifluoro-1-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)butan-1-one;8-benzylsulfonyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;8-(4-chlorophenyl)sulfonyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;2-(3,3-difluorocyclobutyl)-1-(3-propan-2-yl-3,9-diazabicyclo[3.3.1]nonan-9-yl)ethanone;(1R,5S)-8-[(1-methylpyrazol-4-yl)methoxy]-3-propan-2-yl-3-azabicyclo[3.2.1]octane;(3-methylsulfanylphenyl)-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone;(4-methylsulfanylphenyl)-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone;8-(4-methylsulfanylphenyl)sulfonyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;(3-propan-2-yl-3,9-diazabicyclo[3.3.1]nonan-9-yl)-(thietan-3-yl)methanone;3-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)cyclobutane-1-carbonitrile;5-[(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]-2-(2,2,2-trifluoroethyl)-1,3-thiazole;1-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-2-(2,2,3,3-tetrafluorocyclobutyl)ethanone;3-propan-2-yl-8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane?
3-amino-4,4,4-trifluoro-1-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)butan-1-one;8-benzylsulfonyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;8-(4-chlorophenyl)sulfonyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;2-(3,3-difluorocyclobutyl)-1-(3-propan-2-yl-3,9-diazabicyclo[3.3.1]nonan-9-yl)ethanone;(1R,5S)-8-[(1-methylpyrazol-4-yl)methoxy]-3-propan-2-yl-3-azabicyclo[3.2.1]octane;(3-methylsulfanylphenyl)-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone;(4-methylsulfanylphenyl)-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone;8-(4-methylsulfanylphenyl)sulfonyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;(3-propan-2-yl-3,9-diazabicyclo[3.3.1]nonan-9-yl)-(thietan-3-yl)methanone;3-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)cyclobutane-1-carbonitrile;5-[(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]-2-(2,2,2-trifluoroethyl)-1,3-thiazole;1-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-2-(2,2,3,3-tetrafluorocyclobutyl)ethanone;3-propan-2-yl-8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane has a molecular weight of 3865.70 g/mol, XLogP of 31.43, 40 rotatable bonds, 1 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,4,4-trifluoro-1-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)butan-1-one;8-benzylsulfonyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;8-(4-chlorophenyl)sulfonyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;2-(3,3-difluorocyclobutyl)-1-(3-propan-2-yl-3,9-diazabicyclo[3.3.1]nonan-9-yl)ethanone;(1R,5S)-8-[(1-methylpyrazol-4-yl)methoxy]-3-propan-2-yl-3-azabicyclo[3.2.1]octane;(3-methylsulfanylphenyl)-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone;(4-methylsulfanylphenyl)-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone;8-(4-methylsulfanylphenyl)sulfonyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;(3-propan-2-yl-3,9-diazabicyclo[3.3.1]nonan-9-yl)-(thietan-3-yl)methanone;3-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)cyclobutane-1-carbonitrile;5-[(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]-2-(2,2,2-trifluoroethyl)-1,3-thiazole;1-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-2-(2,2,3,3-tetrafluorocyclobutyl)ethanone;3-propan-2-yl-8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 162066598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).