tert-butyl (3S)-3-(methylamino)pyrrolidine-1-carboxylate;bis(3-cyclopropyl-N,1-dimethylpyrazol-5-amine);1-N,3-N-dimethyl-5-(methylamino)benzene-1,3-dicarboxamide;N,N-dimethyl-2-[3-(methylamino)-N-methylsulfonylanilino]acetamide;3-(ethylamino-methylidene-oxo-λ6-sulfanyl)-N-methylaniline;bis(N-ethyl-3-(methylamino)benzenesulfonamide);ethyl 5-(methylamino)-1,3,4-thiadiazole-2-carboxylate;N-ethyl-N-methyl-3-(methylamino)benzenesulfonamide;2-[N-ethylsulfonyl-3-(methylamino)anilino]-N,N-dimethylacetamide;3-(1H-imidazol-5-yl)-N-methylaniline;1-[3-(methylamino)phenyl]imidazolidin-2-one;1-methyl-2,3-dihydroindole;1-methyl-3,4-dihydro-2H-quinoline;N-methyl-3-[1-(methylamino)ethenyl]-5-(trifluoromethyl)aniline;1-methyl-3-[3-(methylamino)phenyl]imidazolidin-2-one;N-methyl-3-(1-methylpyrazol-3-yl)aniline;N-methyl-3-(2-methyltetrazol-5-yl)aniline;N-methyl-3-(4-methyl-1,2,4-triazol-3-yl)aniline;N-methyl-3-piperidin-1-ylaniline;8-N-methyl-2-N-prop-1-en-2-yl-4,5-dihydrobenzo[g][1,3]benzothiazole-2,8-diamine

C224H317F3N58O21S8 — CID 161066796

IUPACtert-butyl (3S)-3-(methylamino)pyrrolidine-1-carboxylate;bis(3-cyclopropyl-N,1-dimethylpyrazol-5-amine);1-N,3-N-dimethyl-5-(methylamino)benzene-1,3-dicarboxamide;N,N-dimethyl-2-[3-(methylamino)-N-methylsulfonylanilino]acetamide;3-(ethylamino-methylidene-oxo-λ6-sulfanyl)-N-methylaniline;bis(N-ethyl-3-(methylamino)benzenesulfonamide);ethyl 5-(methylamino)-1,3,4-thiadiazole-2-carboxylate;N-ethyl-N-methyl-3-(methylamino)benzenesulfonamide;2-[N-ethylsulfonyl-3-(methylamino)anilino]-N,N-dimethylacetamide;3-(1H-imidazol-5-yl)-N-methylaniline;1-[3-(methylamino)phenyl]imidazolidin-2-one;1-methyl-2,3-dihydroindole;1-methyl-3,4-dihydro-2H-quinoline;N-methyl-3-[1-(methylamino)ethenyl]-5-(trifluoromethyl)aniline;1-methyl-3-[3-(methylamino)phenyl]imidazolidin-2-one;N-methyl-3-(1-methylpyrazol-3-yl)aniline;N-methyl-3-(2-methyltetrazol-5-yl)aniline;N-methyl-3-(4-methyl-1,2,4-triazol-3-yl)aniline;N-methyl-3-piperidin-1-ylaniline;8-N-methyl-2-N-prop-1-en-2-yl-4,5-dihydrobenzo[g][1,3]benzothiazole-2,8-diamine
SMILESC=C(C)Nc1nc2c(s1)-c1cc(NC)ccc1CC2.C=C(NC)c1cc(NC)cc(C(F)(F)F)c1.C=S(=O)(NCC)c1cccc(NC)c1.CCN(C)S(=O)(=O)c1cccc(NC)c1.CCNS(=O)(=O)c1cccc(NC)c1.CCNS(=O)(=O)c1cccc(NC)c1.CCOC(=O)c1nnc(NC)s1.CCS(=O)(=O)N(CC(=O)N(C)C)c1cccc(NC)c1.CN1CCCc2ccccc21.CN1CCc2ccccc21.CNC(=O)c1cc(NC)cc(C(=O)NC)c1.CN[C@H]1CCN(C(=O)OC(C)(C)C)C1.CNc1cc(C2CC2)nn1C.CNc1cc(C2CC2)nn1C.CNc1cccc(-c2ccn(C)n2)c1.CNc1cccc(-c2cnc[nH]2)c1.CNc1cccc(-c2nncn2C)c1.CNc1cccc(-c2nnn(C)n2)c1.CNc1cccc(N(CC(=O)N(C)C)S(C)(=O)=O)c1.CNc1cccc(N2CCCCC2)c1.CNc1cccc(N2CCN(C)C2=O)c1.CNc1cccc(N2CCNC2=O)c1
InChIInChI=1S/C15H17N3S.C13H21N3O3S.C12H19N3O3S.C12H18N2.C11H13F3N2.C11H15N3O2.C11H15N3O.C11H13N3.C10H12N4.C10H13N3O.C10H11N3.C10H16N2O2S.C10H20N2O2.C10H16N2OS.C10H13N.C9H11N5.2C9H14N2O2S.C9H11N.2C8H13N3.C6H9N3O2S/c1-9(2)17-15-18-13-7-5-10-4-6-11(16-3)8-12(10)14(13)19-15;1-5-20(18,19)16(10-13(17)15(3)4)12-8-6-7-11(9-12)14-2;1-13-10-6-5-7-11(8-10)15(19(4,17)18)9-12(16)14(2)3;1-13-11-6-5-7-12(10-11)14-8-3-2-4-9-14;1-7(15-2)8-4-9(11(12,13)14)6-10(5-8)16-3;1-12-9-5-7(10(15)13-2)4-8(6-9)11(16)14-3;1-12-9-4-3-5-10(8-9)14-7-6-13(2)11(14)15;1-12-10-5-3-4-9(8-10)11-6-7-14(2)13-11;1-11-9-5-3-4-8(6-9)10-13-12-7-14(10)2;1-11-8-3-2-4-9(7-8)13-6-5-12-10(13)14;1-11-9-4-2-3-8(5-9)10-6-12-7-13-10;1-4-12(3)15(13,14)10-7-5-6-9(8-10)11-2;1-10(2,3)14-9(13)12-6-5-8(7-12)11-4;1-4-12-14(3,13)10-7-5-6-9(8-10)11-2;1-11-8-4-6-9-5-2-3-7-10(9)11;1-10-8-5-3-4-7(6-8)9-11-13-14(2)12-9;2*1-3-11-14(12,13)9-6-4-5-8(7-9)10-2;1-10-7-6-8-4-2-3-5-9(8)10;2*1-9-8-5-7(6-3-4-6)10-11(8)2;1-3-11-5(10)4-8-9-6(7-2)12-4/h4,6,8,16H,1,5,7H2,2-3H3,(H,17,18);6-9,14H,5,10H2,1-4H3;5-8,13H,9H2,1-4H3;5-7,10,13H,2-4,8-9H2,1H3;4-6,15-16H,1H2,2-3H3;4-6,12H,1-3H3,(H,13,15)(H,14,16);3-5,8,12H,6-7H2,1-2H3;3-8,12H,1-2H3;3-7,11H,1-2H3;2-4,7,11H,5-6H2,1H3,(H,12,14);2-7,11H,1H3,(H,12,13);5-8,11H,4H2,1-3H3;8,11H,5-7H2,1-4H3;5-8,11H,3-4H2,1-2H3,(H,12,13);2-3,5,7H,4,6,8H2,1H3;3-6,10H,1-2H3;2*4-7,10-11H,3H2,1-2H3;2-5H,6-7H2,1H3;2*5-6,9H,3-4H2,1-2H3;3H2,1-2H3,(H,7,9)/t;;;;;;;;;;;;8-;;;;;;;;;/m............0........./s1
InChIKeyUECZHJJMYAUZJE-VXHVXAFMSA-N
MW4471.91 g/mol
LogP34.25
Rot. Bonds58

About tert-butyl (3S)-3-(methylamino)pyrrolidine-1-carboxylate;bis(3-cyclopropyl-N,1-dimethylpyrazol-5-amine);1-N,3-N-dimethyl-5-(methylamino)benzene-1,3-dicarboxamide;N,N-dimethyl-2-[3-(methylamino)-N-methylsulfonylanilino]acetamide;3-(ethylamino-methylidene-oxo-λ6-sulfanyl)-N-methylaniline;bis(N-ethyl-3-(methylamino)benzenesulfonamide);ethyl 5-(methylamino)-1,3,4-thiadiazole-2-carboxylate;N-ethyl-N-methyl-3-(methylamino)benzenesulfonamide;2-[N-ethylsulfonyl-3-(methylamino)anilino]-N,N-dimethylacetamide;3-(1H-imidazol-5-yl)-N-methylaniline;1-[3-(methylamino)phenyl]imidazolidin-2-one;1-methyl-2,3-dihydroindole;1-methyl-3,4-dihydro-2H-quinoline;N-methyl-3-[1-(methylamino)ethenyl]-5-(trifluoromethyl)aniline;1-methyl-3-[3-(methylamino)phenyl]imidazolidin-2-one;N-methyl-3-(1-methylpyrazol-3-yl)aniline;N-methyl-3-(2-methyltetrazol-5-yl)aniline;N-methyl-3-(4-methyl-1,2,4-triazol-3-yl)aniline;N-methyl-3-piperidin-1-ylaniline;8-N-methyl-2-N-prop-1-en-2-yl-4,5-dihydrobenzo[g][1,3]benzothiazole-2,8-diamine

tert-butyl (3S)-3-(methylamino)pyrrolidine-1-carboxylate;bis(3-cyclopropyl-N,1-dimethylpyrazol-5-amine);1-N,3-N-dimethyl-5-(methylamino)benzene-1,3-dicarboxamide;N,N-dimethyl-2-[3-(methylamino)-N-methylsulfonylanilino]acetamide;3-(ethylamino-methylidene-oxo-λ6-sulfanyl)-N-methylaniline;bis(N-ethyl-3-(methylamino)benzenesulfonamide);ethyl 5-(methylamino)-1,3,4-thiadiazole-2-carboxylate;N-ethyl-N-methyl-3-(methylamino)benzenesulfonamide;2-[N-ethylsulfonyl-3-(methylamino)anilino]-N,N-dimethylacetamide;3-(1H-imidazol-5-yl)-N-methylaniline;1-[3-(methylamino)phenyl]imidazolidin-2-one;1-methyl-2,3-dihydroindole;1-methyl-3,4-dihydro-2H-quinoline;N-methyl-3-[1-(methylamino)ethenyl]-5-(trifluoromethyl)aniline;1-methyl-3-[3-(methylamino)phenyl]imidazolidin-2-one;N-methyl-3-(1-methylpyrazol-3-yl)aniline;N-methyl-3-(2-methyltetrazol-5-yl)aniline;N-methyl-3-(4-methyl-1,2,4-triazol-3-yl)aniline;N-methyl-3-piperidin-1-ylaniline;8-N-methyl-2-N-prop-1-en-2-yl-4,5-dihydrobenzo[g][1,3]benzothiazole-2,8-diamine (PubChem CID 161066796) has the molecular formula C224H317F3N58O21S8 and a molecular weight of 4471.91 g/mol. Its IUPAC name is tert-butyl (3S)-3-(methylamino)pyrrolidine-1-carboxylate;bis(3-cyclopropyl-N,1-dimethylpyrazol-5-amine);1-N,3-N-dimethyl-5-(methylamino)benzene-1,3-dicarboxamide;N,N-dimethyl-2-[3-(methylamino)-N-methylsulfonylanilino]acetamide;3-(ethylamino-methylidene-oxo-λ6-sulfanyl)-N-methylaniline;bis(N-ethyl-3-(methylamino)benzenesulfonamide);ethyl 5-(methylamino)-1,3,4-thiadiazole-2-carboxylate;N-ethyl-N-methyl-3-(methylamino)benzenesulfonamide;2-[N-ethylsulfonyl-3-(methylamino)anilino]-N,N-dimethylacetamide;3-(1H-imidazol-5-yl)-N-methylaniline;1-[3-(methylamino)phenyl]imidazolidin-2-one;1-methyl-2,3-dihydroindole;1-methyl-3,4-dihydro-2H-quinoline;N-methyl-3-[1-(methylamino)ethenyl]-5-(trifluoromethyl)aniline;1-methyl-3-[3-(methylamino)phenyl]imidazolidin-2-one;N-methyl-3-(1-methylpyrazol-3-yl)aniline;N-methyl-3-(2-methyltetrazol-5-yl)aniline;N-methyl-3-(4-methyl-1,2,4-triazol-3-yl)aniline;N-methyl-3-piperidin-1-ylaniline;8-N-methyl-2-N-prop-1-en-2-yl-4,5-dihydrobenzo[g][1,3]benzothiazole-2,8-diamine.

Molecular Properties

Compound Nametert-butyl (3S)-3-(methylamino)pyrrolidine-1-carboxylate;bis(3-cyclopropyl-N,1-dimethylpyrazol-5-amine);1-N,3-N-dimethyl-5-(methylamino)benzene-1,3-dicarboxamide;N,N-dimethyl-2-[3-(methylamino)-N-methylsulfonylanilino]acetamide;3-(ethylamino-methylidene-oxo-λ6-sulfanyl)-N-methylaniline;bis(N-ethyl-3-(methylamino)benzenesulfonamide);ethyl 5-(methylamino)-1,3,4-thiadiazole-2-carboxylate;N-ethyl-N-methyl-3-(methylamino)benzenesulfonamide;2-[N-ethylsulfonyl-3-(methylamino)anilino]-N,N-dimethylacetamide;3-(1H-imidazol-5-yl)-N-methylaniline;1-[3-(methylamino)phenyl]imidazolidin-2-one;1-methyl-2,3-dihydroindole;1-methyl-3,4-dihydro-2H-quinoline;N-methyl-3-[1-(methylamino)ethenyl]-5-(trifluoromethyl)aniline;1-methyl-3-[3-(methylamino)phenyl]imidazolidin-2-one;N-methyl-3-(1-methylpyrazol-3-yl)aniline;N-methyl-3-(2-methyltetrazol-5-yl)aniline;N-methyl-3-(4-methyl-1,2,4-triazol-3-yl)aniline;N-methyl-3-piperidin-1-ylaniline;8-N-methyl-2-N-prop-1-en-2-yl-4,5-dihydrobenzo[g][1,3]benzothiazole-2,8-diamine
PubChem CID161066796
Molecular FormulaC224H317F3N58O21S8
Molecular Weight4471.91 g/mol
Exact Mass4468.32
IUPAC Nametert-butyl (3S)-3-(methylamino)pyrrolidine-1-carboxylate;bis(3-cyclopropyl-N,1-dimethylpyrazol-5-amine);1-N,3-N-dimethyl-5-(methylamino)benzene-1,3-dicarboxamide;N,N-dimethyl-2-[3-(methylamino)-N-methylsulfonylanilino]acetamide;3-(ethylamino-methylidene-oxo-λ6-sulfanyl)-N-methylaniline;bis(N-ethyl-3-(methylamino)benzenesulfonamide);ethyl 5-(methylamino)-1,3,4-thiadiazole-2-carboxylate;N-ethyl-N-methyl-3-(methylamino)benzenesulfonamide;2-[N-ethylsulfonyl-3-(methylamino)anilino]-N,N-dimethylacetamide;3-(1H-imidazol-5-yl)-N-methylaniline;1-[3-(methylamino)phenyl]imidazolidin-2-one;1-methyl-2,3-dihydroindole;1-methyl-3,4-dihydro-2H-quinoline;N-methyl-3-[1-(methylamino)ethenyl]-5-(trifluoromethyl)aniline;1-methyl-3-[3-(methylamino)phenyl]imidazolidin-2-one;N-methyl-3-(1-methylpyrazol-3-yl)aniline;N-methyl-3-(2-methyltetrazol-5-yl)aniline;N-methyl-3-(4-methyl-1,2,4-triazol-3-yl)aniline;N-methyl-3-piperidin-1-ylaniline;8-N-methyl-2-N-prop-1-en-2-yl-4,5-dihydrobenzo[g][1,3]benzothiazole-2,8-diamine
SMILESC=C(C)Nc1nc2c(s1)-c1cc(NC)ccc1CC2.C=C(NC)c1cc(NC)cc(C(F)(F)F)c1.C=S(=O)(NCC)c1cccc(NC)c1.CCN(C)S(=O)(=O)c1cccc(NC)c1.CCNS(=O)(=O)c1cccc(NC)c1.CCNS(=O)(=O)c1cccc(NC)c1.CCOC(=O)c1nnc(NC)s1.CCS(=O)(=O)N(CC(=O)N(C)C)c1cccc(NC)c1.CN1CCCc2ccccc21.CN1CCc2ccccc21.CNC(=O)c1cc(NC)cc(C(=O)NC)c1.CN[C@H]1CCN(C(=O)OC(C)(C)C)C1.CNc1cc(C2CC2)nn1C.CNc1cc(C2CC2)nn1C.CNc1cccc(-c2ccn(C)n2)c1.CNc1cccc(-c2cnc[nH]2)c1.CNc1cccc(-c2nncn2C)c1.CNc1cccc(-c2nnn(C)n2)c1.CNc1cccc(N(CC(=O)N(C)C)S(C)(=O)=O)c1.CNc1cccc(N2CCCCC2)c1.CNc1cccc(N2CCN(C)C2=O)c1.CNc1cccc(N2CCNC2=O)c1
InChIInChI=1S/C15H17N3S.C13H21N3O3S.C12H19N3O3S.C12H18N2.C11H13F3N2.C11H15N3O2.C11H15N3O.C11H13N3.C10H12N4.C10H13N3O.C10H11N3.C10H16N2O2S.C10H20N2O2.C10H16N2OS.C10H13N.C9H11N5.2C9H14N2O2S.C9H11N.2C8H13N3.C6H9N3O2S/c1-9(2)17-15-18-13-7-5-10-4-6-11(16-3)8-12(10)14(13)19-15;1-5-20(18,19)16(10-13(17)15(3)4)12-8-6-7-11(9-12)14-2;1-13-10-6-5-7-11(8-10)15(19(4,17)18)9-12(16)14(2)3;1-13-11-6-5-7-12(10-11)14-8-3-2-4-9-14;1-7(15-2)8-4-9(11(12,13)14)6-10(5-8)16-3;1-12-9-5-7(10(15)13-2)4-8(6-9)11(16)14-3;1-12-9-4-3-5-10(8-9)14-7-6-13(2)11(14)15;1-12-10-5-3-4-9(8-10)11-6-7-14(2)13-11;1-11-9-5-3-4-8(6-9)10-13-12-7-14(10)2;1-11-8-3-2-4-9(7-8)13-6-5-12-10(13)14;1-11-9-4-2-3-8(5-9)10-6-12-7-13-10;1-4-12(3)15(13,14)10-7-5-6-9(8-10)11-2;1-10(2,3)14-9(13)12-6-5-8(7-12)11-4;1-4-12-14(3,13)10-7-5-6-9(8-10)11-2;1-11-8-4-6-9-5-2-3-7-10(9)11;1-10-8-5-3-4-7(6-8)9-11-13-14(2)12-9;2*1-3-11-14(12,13)9-6-4-5-8(7-9)10-2;1-10-7-6-8-4-2-3-5-9(8)10;2*1-9-8-5-7(6-3-4-6)10-11(8)2;1-3-11-5(10)4-8-9-6(7-2)12-4/h4,6,8,16H,1,5,7H2,2-3H3,(H,17,18);6-9,14H,5,10H2,1-4H3;5-8,13H,9H2,1-4H3;5-7,10,13H,2-4,8-9H2,1H3;4-6,15-16H,1H2,2-3H3;4-6,12H,1-3H3,(H,13,15)(H,14,16);3-5,8,12H,6-7H2,1-2H3;3-8,12H,1-2H3;3-7,11H,1-2H3;2-4,7,11H,5-6H2,1H3,(H,12,14);2-7,11H,1H3,(H,12,13);5-8,11H,4H2,1-3H3;8,11H,5-7H2,1-4H3;5-8,11H,3-4H2,1-2H3,(H,12,13);2-3,5,7H,4,6,8H2,1H3;3-6,10H,1-2H3;2*4-7,10-11H,3H2,1-2H3;2-5H,6-7H2,1H3;2*5-6,9H,3-4H2,1-2H3;3H2,1-2H3,(H,7,9)/t;;;;;;;;;;;;8-;;;;;;;;;/m............0........./s1
InChIKeyUECZHJJMYAUZJE-VXHVXAFMSA-N
XLogP34.25
TPSA913.63 Ų
H-Bond Donors29
H-Bond Acceptors65
Rotatable Bonds58
Heavy Atoms314
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004471.91
LogP ≤ 534.25
H-Bond Donors ≤ 529
H-Bond Acceptors ≤ 1065

Analyze tert-butyl (3S)-3-(methylamino)pyrrolidine-1-carboxylate;bis(3-cyclopropyl-N,1-dimethylpyrazol-5-amine);1-N,3-N-dimethyl-5-(methylamino)benzene-1,3-dicarboxamide;N,N-dimethyl-2-[3-(methylamino)-N-methylsulfonylanilino]acetamide;3-(ethylamino-methylidene-oxo-λ6-sulfanyl)-N-methylaniline;bis(N-ethyl-3-(methylamino)benzenesulfonamide);ethyl 5-(methylamino)-1,3,4-thiadiazole-2-carboxylate;N-ethyl-N-methyl-3-(methylamino)benzenesulfonamide;2-[N-ethylsulfonyl-3-(methylamino)anilino]-N,N-dimethylacetamide;3-(1H-imidazol-5-yl)-N-methylaniline;1-[3-(methylamino)phenyl]imidazolidin-2-one;1-methyl-2,3-dihydroindole;1-methyl-3,4-dihydro-2H-quinoline;N-methyl-3-[1-(methylamino)ethenyl]-5-(trifluoromethyl)aniline;1-methyl-3-[3-(methylamino)phenyl]imidazolidin-2-one;N-methyl-3-(1-methylpyrazol-3-yl)aniline;N-methyl-3-(2-methyltetrazol-5-yl)aniline;N-methyl-3-(4-methyl-1,2,4-triazol-3-yl)aniline;N-methyl-3-piperidin-1-ylaniline;8-N-methyl-2-N-prop-1-en-2-yl-4,5-dihydrobenzo[g][1,3]benzothiazole-2,8-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-3-(methylamino)pyrrolidine-1-carboxylate;bis(3-cyclopropyl-N,1-dimethylpyrazol-5-amine);1-N,3-N-dimethyl-5-(methylamino)benzene-1,3-dicarboxamide;N,N-dimethyl-2-[3-(methylamino)-N-methylsulfonylanilino]acetamide;3-(ethylamino-methylidene-oxo-λ6-sulfanyl)-N-methylaniline;bis(N-ethyl-3-(methylamino)benzenesulfonamide);ethyl 5-(methylamino)-1,3,4-thiadiazole-2-carboxylate;N-ethyl-N-methyl-3-(methylamino)benzenesulfonamide;2-[N-ethylsulfonyl-3-(methylamino)anilino]-N,N-dimethylacetamide;3-(1H-imidazol-5-yl)-N-methylaniline;1-[3-(methylamino)phenyl]imidazolidin-2-one;1-methyl-2,3-dihydroindole;1-methyl-3,4-dihydro-2H-quinoline;N-methyl-3-[1-(methylamino)ethenyl]-5-(trifluoromethyl)aniline;1-methyl-3-[3-(methylamino)phenyl]imidazolidin-2-one;N-methyl-3-(1-methylpyrazol-3-yl)aniline;N-methyl-3-(2-methyltetrazol-5-yl)aniline;N-methyl-3-(4-methyl-1,2,4-triazol-3-yl)aniline;N-methyl-3-piperidin-1-ylaniline;8-N-methyl-2-N-prop-1-en-2-yl-4,5-dihydrobenzo[g][1,3]benzothiazole-2,8-diamine?
The IUPAC name of tert-butyl (3S)-3-(methylamino)pyrrolidine-1-carboxylate;bis(3-cyclopropyl-N,1-dimethylpyrazol-5-amine);1-N,3-N-dimethyl-5-(methylamino)benzene-1,3-dicarboxamide;N,N-dimethyl-2-[3-(methylamino)-N-methylsulfonylanilino]acetamide;3-(ethylamino-methylidene-oxo-λ6-sulfanyl)-N-methylaniline;bis(N-ethyl-3-(methylamino)benzenesulfonamide);ethyl 5-(methylamino)-1,3,4-thiadiazole-2-carboxylate;N-ethyl-N-methyl-3-(methylamino)benzenesulfonamide;2-[N-ethylsulfonyl-3-(methylamino)anilino]-N,N-dimethylacetamide;3-(1H-imidazol-5-yl)-N-methylaniline;1-[3-(methylamino)phenyl]imidazolidin-2-one;1-methyl-2,3-dihydroindole;1-methyl-3,4-dihydro-2H-quinoline;N-methyl-3-[1-(methylamino)ethenyl]-5-(trifluoromethyl)aniline;1-methyl-3-[3-(methylamino)phenyl]imidazolidin-2-one;N-methyl-3-(1-methylpyrazol-3-yl)aniline;N-methyl-3-(2-methyltetrazol-5-yl)aniline;N-methyl-3-(4-methyl-1,2,4-triazol-3-yl)aniline;N-methyl-3-piperidin-1-ylaniline;8-N-methyl-2-N-prop-1-en-2-yl-4,5-dihydrobenzo[g][1,3]benzothiazole-2,8-diamine (CID 161066796) is tert-butyl (3S)-3-(methylamino)pyrrolidine-1-carboxylate;bis(3-cyclopropyl-N,1-dimethylpyrazol-5-amine);1-N,3-N-dimethyl-5-(methylamino)benzene-1,3-dicarboxamide;N,N-dimethyl-2-[3-(methylamino)-N-methylsulfonylanilino]acetamide;3-(ethylamino-methylidene-oxo-λ6-sulfanyl)-N-methylaniline;bis(N-ethyl-3-(methylamino)benzenesulfonamide);ethyl 5-(methylamino)-1,3,4-thiadiazole-2-carboxylate;N-ethyl-N-methyl-3-(methylamino)benzenesulfonamide;2-[N-ethylsulfonyl-3-(methylamino)anilino]-N,N-dimethylacetamide;3-(1H-imidazol-5-yl)-N-methylaniline;1-[3-(methylamino)phenyl]imidazolidin-2-one;1-methyl-2,3-dihydroindole;1-methyl-3,4-dihydro-2H-quinoline;N-methyl-3-[1-(methylamino)ethenyl]-5-(trifluoromethyl)aniline;1-methyl-3-[3-(methylamino)phenyl]imidazolidin-2-one;N-methyl-3-(1-methylpyrazol-3-yl)aniline;N-methyl-3-(2-methyltetrazol-5-yl)aniline;N-methyl-3-(4-methyl-1,2,4-triazol-3-yl)aniline;N-methyl-3-piperidin-1-ylaniline;8-N-methyl-2-N-prop-1-en-2-yl-4,5-dihydrobenzo[g][1,3]benzothiazole-2,8-diamine.
What is the SMILES notation for tert-butyl (3S)-3-(methylamino)pyrrolidine-1-carboxylate;bis(3-cyclopropyl-N,1-dimethylpyrazol-5-amine);1-N,3-N-dimethyl-5-(methylamino)benzene-1,3-dicarboxamide;N,N-dimethyl-2-[3-(methylamino)-N-methylsulfonylanilino]acetamide;3-(ethylamino-methylidene-oxo-λ6-sulfanyl)-N-methylaniline;bis(N-ethyl-3-(methylamino)benzenesulfonamide);ethyl 5-(methylamino)-1,3,4-thiadiazole-2-carboxylate;N-ethyl-N-methyl-3-(methylamino)benzenesulfonamide;2-[N-ethylsulfonyl-3-(methylamino)anilino]-N,N-dimethylacetamide;3-(1H-imidazol-5-yl)-N-methylaniline;1-[3-(methylamino)phenyl]imidazolidin-2-one;1-methyl-2,3-dihydroindole;1-methyl-3,4-dihydro-2H-quinoline;N-methyl-3-[1-(methylamino)ethenyl]-5-(trifluoromethyl)aniline;1-methyl-3-[3-(methylamino)phenyl]imidazolidin-2-one;N-methyl-3-(1-methylpyrazol-3-yl)aniline;N-methyl-3-(2-methyltetrazol-5-yl)aniline;N-methyl-3-(4-methyl-1,2,4-triazol-3-yl)aniline;N-methyl-3-piperidin-1-ylaniline;8-N-methyl-2-N-prop-1-en-2-yl-4,5-dihydrobenzo[g][1,3]benzothiazole-2,8-diamine?
The canonical SMILES for tert-butyl (3S)-3-(methylamino)pyrrolidine-1-carboxylate;bis(3-cyclopropyl-N,1-dimethylpyrazol-5-amine);1-N,3-N-dimethyl-5-(methylamino)benzene-1,3-dicarboxamide;N,N-dimethyl-2-[3-(methylamino)-N-methylsulfonylanilino]acetamide;3-(ethylamino-methylidene-oxo-λ6-sulfanyl)-N-methylaniline;bis(N-ethyl-3-(methylamino)benzenesulfonamide);ethyl 5-(methylamino)-1,3,4-thiadiazole-2-carboxylate;N-ethyl-N-methyl-3-(methylamino)benzenesulfonamide;2-[N-ethylsulfonyl-3-(methylamino)anilino]-N,N-dimethylacetamide;3-(1H-imidazol-5-yl)-N-methylaniline;1-[3-(methylamino)phenyl]imidazolidin-2-one;1-methyl-2,3-dihydroindole;1-methyl-3,4-dihydro-2H-quinoline;N-methyl-3-[1-(methylamino)ethenyl]-5-(trifluoromethyl)aniline;1-methyl-3-[3-(methylamino)phenyl]imidazolidin-2-one;N-methyl-3-(1-methylpyrazol-3-yl)aniline;N-methyl-3-(2-methyltetrazol-5-yl)aniline;N-methyl-3-(4-methyl-1,2,4-triazol-3-yl)aniline;N-methyl-3-piperidin-1-ylaniline;8-N-methyl-2-N-prop-1-en-2-yl-4,5-dihydrobenzo[g][1,3]benzothiazole-2,8-diamine is C=C(C)Nc1nc2c(s1)-c1cc(NC)ccc1CC2.C=C(NC)c1cc(NC)cc(C(F)(F)F)c1.C=S(=O)(NCC)c1cccc(NC)c1.CCN(C)S(=O)(=O)c1cccc(NC)c1.CCNS(=O)(=O)c1cccc(NC)c1.CCNS(=O)(=O)c1cccc(NC)c1.CCOC(=O)c1nnc(NC)s1.CCS(=O)(=O)N(CC(=O)N(C)C)c1cccc(NC)c1.CN1CCCc2ccccc21.CN1CCc2ccccc21.CNC(=O)c1cc(NC)cc(C(=O)NC)c1.CN[C@H]1CCN(C(=O)OC(C)(C)C)C1.CNc1cc(C2CC2)nn1C.CNc1cc(C2CC2)nn1C.CNc1cccc(-c2ccn(C)n2)c1.CNc1cccc(-c2cnc[nH]2)c1.CNc1cccc(-c2nncn2C)c1.CNc1cccc(-c2nnn(C)n2)c1.CNc1cccc(N(CC(=O)N(C)C)S(C)(=O)=O)c1.CNc1cccc(N2CCCCC2)c1.CNc1cccc(N2CCN(C)C2=O)c1.CNc1cccc(N2CCNC2=O)c1.
What is the InChIKey of tert-butyl (3S)-3-(methylamino)pyrrolidine-1-carboxylate;bis(3-cyclopropyl-N,1-dimethylpyrazol-5-amine);1-N,3-N-dimethyl-5-(methylamino)benzene-1,3-dicarboxamide;N,N-dimethyl-2-[3-(methylamino)-N-methylsulfonylanilino]acetamide;3-(ethylamino-methylidene-oxo-λ6-sulfanyl)-N-methylaniline;bis(N-ethyl-3-(methylamino)benzenesulfonamide);ethyl 5-(methylamino)-1,3,4-thiadiazole-2-carboxylate;N-ethyl-N-methyl-3-(methylamino)benzenesulfonamide;2-[N-ethylsulfonyl-3-(methylamino)anilino]-N,N-dimethylacetamide;3-(1H-imidazol-5-yl)-N-methylaniline;1-[3-(methylamino)phenyl]imidazolidin-2-one;1-methyl-2,3-dihydroindole;1-methyl-3,4-dihydro-2H-quinoline;N-methyl-3-[1-(methylamino)ethenyl]-5-(trifluoromethyl)aniline;1-methyl-3-[3-(methylamino)phenyl]imidazolidin-2-one;N-methyl-3-(1-methylpyrazol-3-yl)aniline;N-methyl-3-(2-methyltetrazol-5-yl)aniline;N-methyl-3-(4-methyl-1,2,4-triazol-3-yl)aniline;N-methyl-3-piperidin-1-ylaniline;8-N-methyl-2-N-prop-1-en-2-yl-4,5-dihydrobenzo[g][1,3]benzothiazole-2,8-diamine?
The InChIKey is UECZHJJMYAUZJE-VXHVXAFMSA-N. The full InChI is InChI=1S/C15H17N3S.C13H21N3O3S.C12H19N3O3S.C12H18N2.C11H13F3N2.C11H15N3O2.C11H15N3O.C11H13N3.C10H12N4.C10H13N3O.C10H11N3.C10H16N2O2S.C10H20N2O2.C10H16N2OS.C10H13N.C9H11N5.2C9H14N2O2S.C9H11N.2C8H13N3.C6H9N3O2S/c1-9(2)17-15-18-13-7-5-10-4-6-11(16-3)8-12(10)14(13)19-15;1-5-20(18,19)16(10-13(17)15(3)4)12-8-6-7-11(9-12)14-2;1-13-10-6-5-7-11(8-10)15(19(4,17)18)9-12(16)14(2)3;1-13-11-6-5-7-12(10-11)14-8-3-2-4-9-14;1-7(15-2)8-4-9(11(12,13)14)6-10(5-8)16-3;1-12-9-5-7(10(15)13-2)4-8(6-9)11(16)14-3;1-12-9-4-3-5-10(8-9)14-7-6-13(2)11(14)15;1-12-10-5-3-4-9(8-10)11-6-7-14(2)13-11;1-11-9-5-3-4-8(6-9)10-13-12-7-14(10)2;1-11-8-3-2-4-9(7-8)13-6-5-12-10(13)14;1-11-9-4-2-3-8(5-9)10-6-12-7-13-10;1-4-12(3)15(13,14)10-7-5-6-9(8-10)11-2;1-10(2,3)14-9(13)12-6-5-8(7-12)11-4;1-4-12-14(3,13)10-7-5-6-9(8-10)11-2;1-11-8-4-6-9-5-2-3-7-10(9)11;1-10-8-5-3-4-7(6-8)9-11-13-14(2)12-9;2*1-3-11-14(12,13)9-6-4-5-8(7-9)10-2;1-10-7-6-8-4-2-3-5-9(8)10;2*1-9-8-5-7(6-3-4-6)10-11(8)2;1-3-11-5(10)4-8-9-6(7-2)12-4/h4,6,8,16H,1,5,7H2,2-3H3,(H,17,18);6-9,14H,5,10H2,1-4H3;5-8,13H,9H2,1-4H3;5-7,10,13H,2-4,8-9H2,1H3;4-6,15-16H,1H2,2-3H3;4-6,12H,1-3H3,(H,13,15)(H,14,16);3-5,8,12H,6-7H2,1-2H3;3-8,12H,1-2H3;3-7,11H,1-2H3;2-4,7,11H,5-6H2,1H3,(H,12,14);2-7,11H,1H3,(H,12,13);5-8,11H,4H2,1-3H3;8,11H,5-7H2,1-4H3;5-8,11H,3-4H2,1-2H3,(H,12,13);2-3,5,7H,4,6,8H2,1H3;3-6,10H,1-2H3;2*4-7,10-11H,3H2,1-2H3;2-5H,6-7H2,1H3;2*5-6,9H,3-4H2,1-2H3;3H2,1-2H3,(H,7,9)/t;;;;;;;;;;;;8-;;;;;;;;;/m............0........./s1.
What are the key properties of tert-butyl (3S)-3-(methylamino)pyrrolidine-1-carboxylate;bis(3-cyclopropyl-N,1-dimethylpyrazol-5-amine);1-N,3-N-dimethyl-5-(methylamino)benzene-1,3-dicarboxamide;N,N-dimethyl-2-[3-(methylamino)-N-methylsulfonylanilino]acetamide;3-(ethylamino-methylidene-oxo-λ6-sulfanyl)-N-methylaniline;bis(N-ethyl-3-(methylamino)benzenesulfonamide);ethyl 5-(methylamino)-1,3,4-thiadiazole-2-carboxylate;N-ethyl-N-methyl-3-(methylamino)benzenesulfonamide;2-[N-ethylsulfonyl-3-(methylamino)anilino]-N,N-dimethylacetamide;3-(1H-imidazol-5-yl)-N-methylaniline;1-[3-(methylamino)phenyl]imidazolidin-2-one;1-methyl-2,3-dihydroindole;1-methyl-3,4-dihydro-2H-quinoline;N-methyl-3-[1-(methylamino)ethenyl]-5-(trifluoromethyl)aniline;1-methyl-3-[3-(methylamino)phenyl]imidazolidin-2-one;N-methyl-3-(1-methylpyrazol-3-yl)aniline;N-methyl-3-(2-methyltetrazol-5-yl)aniline;N-methyl-3-(4-methyl-1,2,4-triazol-3-yl)aniline;N-methyl-3-piperidin-1-ylaniline;8-N-methyl-2-N-prop-1-en-2-yl-4,5-dihydrobenzo[g][1,3]benzothiazole-2,8-diamine?
tert-butyl (3S)-3-(methylamino)pyrrolidine-1-carboxylate;bis(3-cyclopropyl-N,1-dimethylpyrazol-5-amine);1-N,3-N-dimethyl-5-(methylamino)benzene-1,3-dicarboxamide;N,N-dimethyl-2-[3-(methylamino)-N-methylsulfonylanilino]acetamide;3-(ethylamino-methylidene-oxo-λ6-sulfanyl)-N-methylaniline;bis(N-ethyl-3-(methylamino)benzenesulfonamide);ethyl 5-(methylamino)-1,3,4-thiadiazole-2-carboxylate;N-ethyl-N-methyl-3-(methylamino)benzenesulfonamide;2-[N-ethylsulfonyl-3-(methylamino)anilino]-N,N-dimethylacetamide;3-(1H-imidazol-5-yl)-N-methylaniline;1-[3-(methylamino)phenyl]imidazolidin-2-one;1-methyl-2,3-dihydroindole;1-methyl-3,4-dihydro-2H-quinoline;N-methyl-3-[1-(methylamino)ethenyl]-5-(trifluoromethyl)aniline;1-methyl-3-[3-(methylamino)phenyl]imidazolidin-2-one;N-methyl-3-(1-methylpyrazol-3-yl)aniline;N-methyl-3-(2-methyltetrazol-5-yl)aniline;N-methyl-3-(4-methyl-1,2,4-triazol-3-yl)aniline;N-methyl-3-piperidin-1-ylaniline;8-N-methyl-2-N-prop-1-en-2-yl-4,5-dihydrobenzo[g][1,3]benzothiazole-2,8-diamine has a molecular weight of 4471.91 g/mol, XLogP of 34.25, 58 rotatable bonds, 29 hydrogen bond donors, and 65 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S)-3-(methylamino)pyrrolidine-1-carboxylate;bis(3-cyclopropyl-N,1-dimethylpyrazol-5-amine);1-N,3-N-dimethyl-5-(methylamino)benzene-1,3-dicarboxamide;N,N-dimethyl-2-[3-(methylamino)-N-methylsulfonylanilino]acetamide;3-(ethylamino-methylidene-oxo-λ6-sulfanyl)-N-methylaniline;bis(N-ethyl-3-(methylamino)benzenesulfonamide);ethyl 5-(methylamino)-1,3,4-thiadiazole-2-carboxylate;N-ethyl-N-methyl-3-(methylamino)benzenesulfonamide;2-[N-ethylsulfonyl-3-(methylamino)anilino]-N,N-dimethylacetamide;3-(1H-imidazol-5-yl)-N-methylaniline;1-[3-(methylamino)phenyl]imidazolidin-2-one;1-methyl-2,3-dihydroindole;1-methyl-3,4-dihydro-2H-quinoline;N-methyl-3-[1-(methylamino)ethenyl]-5-(trifluoromethyl)aniline;1-methyl-3-[3-(methylamino)phenyl]imidazolidin-2-one;N-methyl-3-(1-methylpyrazol-3-yl)aniline;N-methyl-3-(2-methyltetrazol-5-yl)aniline;N-methyl-3-(4-methyl-1,2,4-triazol-3-yl)aniline;N-methyl-3-piperidin-1-ylaniline;8-N-methyl-2-N-prop-1-en-2-yl-4,5-dihydrobenzo[g][1,3]benzothiazole-2,8-diamine is sourced from PubChem (CID 161066796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).