benzenesulfonyl chloride;benzyl (2S,5R)-5-amino-2-methylpiperidine-1-carboxylate;2-bromopropane;2-(chloromethoxy)ethyl-trimethylsilane;ethyl 7-(benzenesulfonyl)-4-chloropyrrolo[2,3-d]pyrimidine-5-carboxylate;ethyl 7-(benzenesulfonyl)-4-[[(3R,6S)-6-methyl-1-phenylmethoxycarbonylpiperidin-3-yl]amino]pyrrolo[2,3-d]pyrimidine-5-carboxylate;ethyl 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate;ethyl 4-[[(3R,6S)-6-methyl-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate;ethyl 4-[[(3R,6S)-6-methyl-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carboxylate;4-[[(3R,6S)-6-methyl-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carboxylic acid;propan-2-yl 4-[[(3R,6S)-6-methyl-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate;propan-2-yl 4-[[(3R,6S)-6-methyl-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carboxylate;propan-2-yl 4-[[(3R,6S)-6-methylpiperidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate;propan-2-yl 4-[[(3R,6S)-6-methyl-1-prop-2-enoylpiperidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate;prop-2-enoyl chloride

C253H326BrCl5N48O46S3Si4 — CID 167628876

About benzenesulfonyl chloride;benzyl (2S,5R)-5-amino-2-methylpiperidine-1-carboxylate;2-bromopropane;2-(chloromethoxy)ethyl-trimethylsilane;ethyl 7-(benzenesulfonyl)-4-chloropyrrolo[2,3-d]pyrimidine-5-carboxylate;ethyl 7-(benzenesulfonyl)-4-[[(3R,6S)-6-methyl-1-phenylmethoxycarbonylpiperidin-3-yl]amino]pyrrolo[2,3-d]pyrimidine-5-carboxylate;ethyl 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate;ethyl 4-[[(3R,6S)-6-methyl-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate;ethyl 4-[[(3R,6S)-6-methyl-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carboxylate;4-[[(3R,6S)-6-methyl-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carboxylic acid;propan-2-yl 4-[[(3R,6S)-6-methyl-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate;propan-2-yl 4-[[(3R,6S)-6-methyl-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carboxylate;propan-2-yl 4-[[(3R,6S)-6-methylpiperidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate;propan-2-yl 4-[[(3R,6S)-6-methyl-1-prop-2-enoylpiperidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate;prop-2-enoyl chloride

benzenesulfonyl chloride;benzyl (2S,5R)-5-amino-2-methylpiperidine-1-carboxylate;2-bromopropane;2-(chloromethoxy)ethyl-trimethylsilane;ethyl 7-(benzenesulfonyl)-4-chloropyrrolo[2,3-d]pyrimidine-5-carboxylate;ethyl 7-(benzenesulfonyl)-4-[[(3R,6S)-6-methyl-1-phenylmethoxycarbonylpiperidin-3-yl]amino]pyrrolo[2,3-d]pyrimidine-5-carboxylate;ethyl 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate;ethyl 4-[[(3R,6S)-6-methyl-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate;ethyl 4-[[(3R,6S)-6-methyl-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carboxylate;4-[[(3R,6S)-6-methyl-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carboxylic acid;propan-2-yl 4-[[(3R,6S)-6-methyl-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate;propan-2-yl 4-[[(3R,6S)-6-methyl-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carboxylate;propan-2-yl 4-[[(3R,6S)-6-methylpiperidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate;propan-2-yl 4-[[(3R,6S)-6-methyl-1-prop-2-enoylpiperidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate;prop-2-enoyl chloride (PubChem CID 167628876) has the molecular formula C253H326BrCl5N48O46S3Si4 and a molecular weight of 5241.40 g/mol. Its IUPAC name is benzenesulfonyl chloride;benzyl (2S,5R)-5-amino-2-methylpiperidine-1-carboxylate;2-bromopropane;2-(chloromethoxy)ethyl-trimethylsilane;ethyl 7-(benzenesulfonyl)-4-chloropyrrolo[2,3-d]pyrimidine-5-carboxylate;ethyl 7-(benzenesulfonyl)-4-[[(3R,6S)-6-methyl-1-phenylmethoxycarbonylpiperidin-3-yl]amino]pyrrolo[2,3-d]pyrimidine-5-carboxylate;ethyl 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate;ethyl 4-[[(3R,6S)-6-methyl-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate;ethyl 4-[[(3R,6S)-6-methyl-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carboxylate;4-[[(3R,6S)-6-methyl-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carboxylic acid;propan-2-yl 4-[[(3R,6S)-6-methyl-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate;propan-2-yl 4-[[(3R,6S)-6-methyl-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carboxylate;propan-2-yl 4-[[(3R,6S)-6-methylpiperidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate;propan-2-yl 4-[[(3R,6S)-6-methyl-1-prop-2-enoylpiperidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate;prop-2-enoyl chloride.

Molecular Properties

• Compound Name: benzenesulfonyl chloride;benzyl (2S,5R)-5-amino-2-methylpiperidine-1-carboxylate;2-bromopropane;2-(chloromethoxy)ethyl-trimethylsilane;ethyl 7-(benzenesulfonyl)-4-chloropyrrolo[2,3-d]pyrimidine-5-carboxylate;ethyl 7-(benzenesulfonyl)-4-[[(3R,6S)-6-methyl-1-phenylmethoxycarbonylpiperidin-3-yl]amino]pyrrolo[2,3-d]pyrimidine-5-carboxylate;ethyl 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate;ethyl 4-[[(3R,6S)-6-methyl-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate;ethyl 4-[[(3R,6S)-6-methyl-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carboxylate;4-[[(3R,6S)-6-methyl-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carboxylic acid;propan-2-yl 4-[[(3R,6S)-6-methyl-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate;propan-2-yl 4-[[(3R,6S)-6-methyl-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carboxylate;propan-2-yl 4-[[(3R,6S)-6-methylpiperidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate;propan-2-yl 4-[[(3R,6S)-6-methyl-1-prop-2-enoylpiperidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate;prop-2-enoyl chloride
• PubChem CID: 167628876
• Molecular Formula: C253H326BrCl5N48O46S3Si4
• Molecular Weight: 5241.40 g/mol
• Exact Mass: 5234.05
• IUPAC Name: benzenesulfonyl chloride;benzyl (2S,5R)-5-amino-2-methylpiperidine-1-carboxylate;2-bromopropane;2-(chloromethoxy)ethyl-trimethylsilane;ethyl 7-(benzenesulfonyl)-4-chloropyrrolo[2,3-d]pyrimidine-5-carboxylate;ethyl 7-(benzenesulfonyl)-4-[[(3R,6S)-6-methyl-1-phenylmethoxycarbonylpiperidin-3-yl]amino]pyrrolo[2,3-d]pyrimidine-5-carboxylate;ethyl 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate;ethyl 4-[[(3R,6S)-6-methyl-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate;ethyl 4-[[(3R,6S)-6-methyl-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carboxylate;4-[[(3R,6S)-6-methyl-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carboxylic acid;propan-2-yl 4-[[(3R,6S)-6-methyl-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate;propan-2-yl 4-[[(3R,6S)-6-methyl-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carboxylate;propan-2-yl 4-[[(3R,6S)-6-methylpiperidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate;propan-2-yl 4-[[(3R,6S)-6-methyl-1-prop-2-enoylpiperidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate;prop-2-enoyl chloride
• SMILES: C=CC(=O)Cl.C=CC(=O)N1C[C@H](Nc2ncnc3[nH]cc(C(=O)OC(C)C)c23)CC[C@@H]1C.CC(C)Br.CC(C)OC(=O)c1c[nH]c2ncnc(N[C@@H]3CC[C@H](C)N(C(=O)OCc4ccccc4)C3)c12.CC(C)OC(=O)c1c[nH]c2ncnc(N[C@@H]3CC[C@H](C)NC3)c12.CC(C)OC(=O)c1cn(COCC[Si](C)(C)C)c2ncnc(N[C@@H]3CC[C@H](C)N(C(=O)OCc4ccccc4)C3)c12.CCOC(=O)c1c[nH]c2ncnc(Cl)c12.CCOC(=O)c1c[nH]c2ncnc(N[C@@H]3CC[C@H](C)N(C(=O)OCc4ccccc4)C3)c12.CCOC(=O)c1cn(COCC[Si](C)(C)C)c2ncnc(N[C@@H]3CC[C@H](C)N(C(=O)OCc4ccccc4)C3)c12.CCOC(=O)c1cn(S(=O)(=O)c2ccccc2)c2ncnc(Cl)c12.CCOC(=O)c1cn(S(=O)(=O)c2ccccc2)c2ncnc(N[C@@H]3CC[C@H](C)N(C(=O)OCc4ccccc4)C3)c12.C[C@H]1CC[C@@H](N)CN1C(=O)OCc1ccccc1.C[C@H]1CC[C@@H](Nc2ncnc3c2c(C(=O)O)cn3COCC[Si](C)(C)C)CN1C(=O)OCc1ccccc1.C[Si](C)(C)CCOCCl.O=S(=O)(Cl)c1ccccc1
• InChI: InChI=1S/C30H43N5O5Si.C29H31N5O6S.C29H41N5O5Si.C27H37N5O5Si.C24H29N5O4.C23H27N5O4.C19H25N5O3.C16H23N5O2.C15H12ClN3O4S.C14H20N2O2.C9H8ClN3O2.C6H5ClO2S.C6H15ClOSi.C3H7Br.C3H3ClO/c1-21(2)40-29(36)25-17-34(20-38-14-15-41(4,5)6)28-26(25)27(31-19-32-28)33-24-13-12-22(3)35(16-24)30(37)39-18-23-10-8-7-9-11-23;1-3-39-28(35)24-17-34(41(37,38)23-12-8-5-9-13-23)27-25(24)26(30-19-31-27)32-22-15-14-20(2)33(16-22)29(36)40-18-21-10-6-4-7-11-21;1-6-38-28(35)24-17-33(20-37-14-15-40(3,4)5)27-25(24)26(30-19-31-27)32-23-13-12-21(2)34(16-23)29(36)39-18-22-10-8-7-9-11-22;1-19-10-11-21(14-32(19)27(35)37-16-20-8-6-5-7-9-20)30-24-23-22(26(33)34)15-31(25(23)29-17-28-24)18-36-12-13-38(2,3)4;1-15(2)33-23(30)19-11-25-21-20(19)22(27-14-26-21)28-18-10-9-16(3)29(12-18)24(31)32-13-17-7-5-4-6-8-17;1-3-31-22(29)18-11-24-20-19(18)21(26-14-25-20)27-17-10-9-15(2)28(12-17)23(30)32-13-16-7-5-4-6-8-16;1-5-15(25)24-9-13(7-6-12(24)4)23-18-16-14(19(26)27-11(2)3)8-20-17(16)21-10-22-18;1-9(2)23-16(22)12-7-18-14-13(12)15(20-8-19-14)21-11-5-4-10(3)17-6-11;1-2-23-15(20)11-8-19(14-12(11)13(16)17-9-18-14)24(21,22)10-6-4-3-5-7-10;1-11-7-8-13(15)9-16(11)14(17)18-10-12-5-3-2-4-6-12;1-2-15-9(14)5-3-11-8-6(5)7(10)12-4-13-8;7-10(8,9)6-4-2-1-3-5-6;1-9(2,3)5-4-8-6-7;1-3(2)4;1-2-3(4)5/h7-11,17,19,21-22,24H,12-16,18,20H2,1-6H3,(H,31,32,33);4-13,17,19-20,22H,3,14-16,18H2,1-2H3,(H,30,31,32);7-11,17,19,21,23H,6,12-16,18,20H2,1-5H3,(H,30,31,32);5-9,15,17,19,21H,10-14,16,18H2,1-4H3,(H,33,34)(H,28,29,30);4-8,11,14-16,18H,9-10,12-13H2,1-3H3,(H2,25,26,27,28);4-8,11,14-15,17H,3,9-10,12-13H2,1-2H3,(H2,24,25,26,27);5,8,10-13H,1,6-7,9H2,2-4H3,(H2,20,21,22,23);7-11,17H,4-6H2,1-3H3,(H2,18,19,20,21);3-9H,2H2,1H3;2-6,11,13H,7-10,15H2,1H3;3-4H,2H2,1H3,(H,11,12,13);1-5H;4-6H2,1-3H3;3H,1-2H3;2H,1H2/t22-,24+;20-,22+;21-,23+;19-,21+;16-,18+;15-,17+;12-,13+;10-,11+;;11-,13+;;;;;/m00000000.0...../s1
• InChIKey: NMRRKHSWPFGBHB-AZYAWFAYSA-N
• XLogP: 46.66
• TPSA: 1153.19 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 80
• Rotatable Bonds: 75
• Heavy Atoms: 360
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	5241.40
LogP ≤ 5	46.66
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	80

Frequently Asked Questions

What is the IUPAC name of benzenesulfonyl chloride;benzyl (2S,5R)-5-amino-2-methylpiperidine-1-carboxylate;2-bromopropane;2-(chloromethoxy)ethyl-trimethylsilane;ethyl 7-(benzenesulfonyl)-4-chloropyrrolo[2,3-d]pyrimidine-5-carboxylate;ethyl 7-(benzenesulfonyl)-4-[[(3R,6S)-6-methyl-1-phenylmethoxycarbonylpiperidin-3-yl]amino]pyrrolo[2,3-d]pyrimidine-5-carboxylate;ethyl 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate;ethyl 4-[[(3R,6S)-6-methyl-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate;ethyl 4-[[(3R,6S)-6-methyl-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carboxylate;4-[[(3R,6S)-6-methyl-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carboxylic acid;propan-2-yl 4-[[(3R,6S)-6-methyl-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate;propan-2-yl 4-[[(3R,6S)-6-methyl-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carboxylate;propan-2-yl 4-[[(3R,6S)-6-methylpiperidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate;propan-2-yl 4-[[(3R,6S)-6-methyl-1-prop-2-enoylpiperidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate;prop-2-enoyl chloride?

The IUPAC name of benzenesulfonyl chloride;benzyl (2S,5R)-5-amino-2-methylpiperidine-1-carboxylate;2-bromopropane;2-(chloromethoxy)ethyl-trimethylsilane;ethyl 7-(benzenesulfonyl)-4-chloropyrrolo[2,3-d]pyrimidine-5-carboxylate;ethyl 7-(benzenesulfonyl)-4-[[(3R,6S)-6-methyl-1-phenylmethoxycarbonylpiperidin-3-yl]amino]pyrrolo[2,3-d]pyrimidine-5-carboxylate;ethyl 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate;ethyl 4-[[(3R,6S)-6-methyl-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate;ethyl 4-[[(3R,6S)-6-methyl-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carboxylate;4-[[(3R,6S)-6-methyl-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carboxylic acid;propan-2-yl 4-[[(3R,6S)-6-methyl-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate;propan-2-yl 4-[[(3R,6S)-6-methyl-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carboxylate;propan-2-yl 4-[[(3R,6S)-6-methylpiperidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate;propan-2-yl 4-[[(3R,6S)-6-methyl-1-prop-2-enoylpiperidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate;prop-2-enoyl chloride (CID 167628876) is benzenesulfonyl chloride;benzyl (2S,5R)-5-amino-2-methylpiperidine-1-carboxylate;2-bromopropane;2-(chloromethoxy)ethyl-trimethylsilane;ethyl 7-(benzenesulfonyl)-4-chloropyrrolo[2,3-d]pyrimidine-5-carboxylate;ethyl 7-(benzenesulfonyl)-4-[[(3R,6S)-6-methyl-1-phenylmethoxycarbonylpiperidin-3-yl]amino]pyrrolo[2,3-d]pyrimidine-5-carboxylate;ethyl 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate;ethyl 4-[[(3R,6S)-6-methyl-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate;ethyl 4-[[(3R,6S)-6-methyl-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carboxylate;4-[[(3R,6S)-6-methyl-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carboxylic acid;propan-2-yl 4-[[(3R,6S)-6-methyl-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate;propan-2-yl 4-[[(3R,6S)-6-methyl-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carboxylate;propan-2-yl 4-[[(3R,6S)-6-methylpiperidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate;propan-2-yl 4-[[(3R,6S)-6-methyl-1-prop-2-enoylpiperidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate;prop-2-enoyl chloride.

What is the SMILES notation for benzenesulfonyl chloride;benzyl (2S,5R)-5-amino-2-methylpiperidine-1-carboxylate;2-bromopropane;2-(chloromethoxy)ethyl-trimethylsilane;ethyl 7-(benzenesulfonyl)-4-chloropyrrolo[2,3-d]pyrimidine-5-carboxylate;ethyl 7-(benzenesulfonyl)-4-[[(3R,6S)-6-methyl-1-phenylmethoxycarbonylpiperidin-3-yl]amino]pyrrolo[2,3-d]pyrimidine-5-carboxylate;ethyl 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate;ethyl 4-[[(3R,6S)-6-methyl-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate;ethyl 4-[[(3R,6S)-6-methyl-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carboxylate;4-[[(3R,6S)-6-methyl-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carboxylic acid;propan-2-yl 4-[[(3R,6S)-6-methyl-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate;propan-2-yl 4-[[(3R,6S)-6-methyl-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carboxylate;propan-2-yl 4-[[(3R,6S)-6-methylpiperidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate;propan-2-yl 4-[[(3R,6S)-6-methyl-1-prop-2-enoylpiperidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate;prop-2-enoyl chloride?

The canonical SMILES for benzenesulfonyl chloride;benzyl (2S,5R)-5-amino-2-methylpiperidine-1-carboxylate;2-bromopropane;2-(chloromethoxy)ethyl-trimethylsilane;ethyl 7-(benzenesulfonyl)-4-chloropyrrolo[2,3-d]pyrimidine-5-carboxylate;ethyl 7-(benzenesulfonyl)-4-[[(3R,6S)-6-methyl-1-phenylmethoxycarbonylpiperidin-3-yl]amino]pyrrolo[2,3-d]pyrimidine-5-carboxylate;ethyl 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate;ethyl 4-[[(3R,6S)-6-methyl-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate;ethyl 4-[[(3R,6S)-6-methyl-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carboxylate;4-[[(3R,6S)-6-methyl-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carboxylic acid;propan-2-yl 4-[[(3R,6S)-6-methyl-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate;propan-2-yl 4-[[(3R,6S)-6-methyl-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carboxylate;propan-2-yl 4-[[(3R,6S)-6-methylpiperidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate;propan-2-yl 4-[[(3R,6S)-6-methyl-1-prop-2-enoylpiperidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate;prop-2-enoyl chloride is C=CC(=O)Cl.C=CC(=O)N1C[C@H](Nc2ncnc3[nH]cc(C(=O)OC(C)C)c23)CC[C@@H]1C.CC(C)Br.CC(C)OC(=O)c1c[nH]c2ncnc(N[C@@H]3CC[C@H](C)N(C(=O)OCc4ccccc4)C3)c12.CC(C)OC(=O)c1c[nH]c2ncnc(N[C@@H]3CC[C@H](C)NC3)c12.CC(C)OC(=O)c1cn(COCC[Si](C)(C)C)c2ncnc(N[C@@H]3CC[C@H](C)N(C(=O)OCc4ccccc4)C3)c12.CCOC(=O)c1c[nH]c2ncnc(Cl)c12.CCOC(=O)c1c[nH]c2ncnc(N[C@@H]3CC[C@H](C)N(C(=O)OCc4ccccc4)C3)c12.CCOC(=O)c1cn(COCC[Si](C)(C)C)c2ncnc(N[C@@H]3CC[C@H](C)N(C(=O)OCc4ccccc4)C3)c12.CCOC(=O)c1cn(S(=O)(=O)c2ccccc2)c2ncnc(Cl)c12.CCOC(=O)c1cn(S(=O)(=O)c2ccccc2)c2ncnc(N[C@@H]3CC[C@H](C)N(C(=O)OCc4ccccc4)C3)c12.C[C@H]1CC[C@@H](N)CN1C(=O)OCc1ccccc1.C[C@H]1CC[C@@H](Nc2ncnc3c2c(C(=O)O)cn3COCC[Si](C)(C)C)CN1C(=O)OCc1ccccc1.C[Si](C)(C)CCOCCl.O=S(=O)(Cl)c1ccccc1.

What is the InChIKey of benzenesulfonyl chloride;benzyl (2S,5R)-5-amino-2-methylpiperidine-1-carboxylate;2-bromopropane;2-(chloromethoxy)ethyl-trimethylsilane;ethyl 7-(benzenesulfonyl)-4-chloropyrrolo[2,3-d]pyrimidine-5-carboxylate;ethyl 7-(benzenesulfonyl)-4-[[(3R,6S)-6-methyl-1-phenylmethoxycarbonylpiperidin-3-yl]amino]pyrrolo[2,3-d]pyrimidine-5-carboxylate;ethyl 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate;ethyl 4-[[(3R,6S)-6-methyl-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate;ethyl 4-[[(3R,6S)-6-methyl-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carboxylate;4-[[(3R,6S)-6-methyl-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carboxylic acid;propan-2-yl 4-[[(3R,6S)-6-methyl-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate;propan-2-yl 4-[[(3R,6S)-6-methyl-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carboxylate;propan-2-yl 4-[[(3R,6S)-6-methylpiperidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate;propan-2-yl 4-[[(3R,6S)-6-methyl-1-prop-2-enoylpiperidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate;prop-2-enoyl chloride?

The InChIKey is NMRRKHSWPFGBHB-AZYAWFAYSA-N. The full InChI is InChI=1S/C30H43N5O5Si.C29H31N5O6S.C29H41N5O5Si.C27H37N5O5Si.C24H29N5O4.C23H27N5O4.C19H25N5O3.C16H23N5O2.C15H12ClN3O4S.C14H20N2O2.C9H8ClN3O2.C6H5ClO2S.C6H15ClOSi.C3H7Br.C3H3ClO/c1-21(2)40-29(36)25-17-34(20-38-14-15-41(4,5)6)28-26(25)27(31-19-32-28)33-24-13-12-22(3)35(16-24)30(37)39-18-23-10-8-7-9-11-23;1-3-39-28(35)24-17-34(41(37,38)23-12-8-5-9-13-23)27-25(24)26(30-19-31-27)32-22-15-14-20(2)33(16-22)29(36)40-18-21-10-6-4-7-11-21;1-6-38-28(35)24-17-33(20-37-14-15-40(3,4)5)27-25(24)26(30-19-31-27)32-23-13-12-21(2)34(16-23)29(36)39-18-22-10-8-7-9-11-22;1-19-10-11-21(14-32(19)27(35)37-16-20-8-6-5-7-9-20)30-24-23-22(26(33)34)15-31(25(23)29-17-28-24)18-36-12-13-38(2,3)4;1-15(2)33-23(30)19-11-25-21-20(19)22(27-14-26-21)28-18-10-9-16(3)29(12-18)24(31)32-13-17-7-5-4-6-8-17;1-3-31-22(29)18-11-24-20-19(18)21(26-14-25-20)27-17-10-9-15(2)28(12-17)23(30)32-13-16-7-5-4-6-8-16;1-5-15(25)24-9-13(7-6-12(24)4)23-18-16-14(19(26)27-11(2)3)8-20-17(16)21-10-22-18;1-9(2)23-16(22)12-7-18-14-13(12)15(20-8-19-14)21-11-5-4-10(3)17-6-11;1-2-23-15(20)11-8-19(14-12(11)13(16)17-9-18-14)24(21,22)10-6-4-3-5-7-10;1-11-7-8-13(15)9-16(11)14(17)18-10-12-5-3-2-4-6-12;1-2-15-9(14)5-3-11-8-6(5)7(10)12-4-13-8;7-10(8,9)6-4-2-1-3-5-6;1-9(2,3)5-4-8-6-7;1-3(2)4;1-2-3(4)5/h7-11,17,19,21-22,24H,12-16,18,20H2,1-6H3,(H,31,32,33);4-13,17,19-20,22H,3,14-16,18H2,1-2H3,(H,30,31,32);7-11,17,19,21,23H,6,12-16,18,20H2,1-5H3,(H,30,31,32);5-9,15,17,19,21H,10-14,16,18H2,1-4H3,(H,33,34)(H,28,29,30);4-8,11,14-16,18H,9-10,12-13H2,1-3H3,(H2,25,26,27,28);4-8,11,14-15,17H,3,9-10,12-13H2,1-2H3,(H2,24,25,26,27);5,8,10-13H,1,6-7,9H2,2-4H3,(H2,20,21,22,23);7-11,17H,4-6H2,1-3H3,(H2,18,19,20,21);3-9H,2H2,1H3;2-6,11,13H,7-10,15H2,1H3;3-4H,2H2,1H3,(H,11,12,13);1-5H;4-6H2,1-3H3;3H,1-2H3;2H,1H2/t22-,24+;20-,22+;21-,23+;19-,21+;16-,18+;15-,17+;12-,13+;10-,11+;;11-,13+;;;;;/m00000000.0...../s1.

What are the key properties of benzenesulfonyl chloride;benzyl (2S,5R)-5-amino-2-methylpiperidine-1-carboxylate;2-bromopropane;2-(chloromethoxy)ethyl-trimethylsilane;ethyl 7-(benzenesulfonyl)-4-chloropyrrolo[2,3-d]pyrimidine-5-carboxylate;ethyl 7-(benzenesulfonyl)-4-[[(3R,6S)-6-methyl-1-phenylmethoxycarbonylpiperidin-3-yl]amino]pyrrolo[2,3-d]pyrimidine-5-carboxylate;ethyl 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate;ethyl 4-[[(3R,6S)-6-methyl-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate;ethyl 4-[[(3R,6S)-6-methyl-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carboxylate;4-[[(3R,6S)-6-methyl-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carboxylic acid;propan-2-yl 4-[[(3R,6S)-6-methyl-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate;propan-2-yl 4-[[(3R,6S)-6-methyl-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carboxylate;propan-2-yl 4-[[(3R,6S)-6-methylpiperidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate;propan-2-yl 4-[[(3R,6S)-6-methyl-1-prop-2-enoylpiperidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate;prop-2-enoyl chloride?

benzenesulfonyl chloride;benzyl (2S,5R)-5-amino-2-methylpiperidine-1-carboxylate;2-bromopropane;2-(chloromethoxy)ethyl-trimethylsilane;ethyl 7-(benzenesulfonyl)-4-chloropyrrolo[2,3-d]pyrimidine-5-carboxylate;ethyl 7-(benzenesulfonyl)-4-[[(3R,6S)-6-methyl-1-phenylmethoxycarbonylpiperidin-3-yl]amino]pyrrolo[2,3-d]pyrimidine-5-carboxylate;ethyl 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate;ethyl 4-[[(3R,6S)-6-methyl-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate;ethyl 4-[[(3R,6S)-6-methyl-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carboxylate;4-[[(3R,6S)-6-methyl-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carboxylic acid;propan-2-yl 4-[[(3R,6S)-6-methyl-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate;propan-2-yl 4-[[(3R,6S)-6-methyl-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carboxylate;propan-2-yl 4-[[(3R,6S)-6-methylpiperidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate;propan-2-yl 4-[[(3R,6S)-6-methyl-1-prop-2-enoylpiperidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate;prop-2-enoyl chloride has a molecular weight of 5241.40 g/mol, XLogP of 46.66, 75 rotatable bonds, 16 hydrogen bond donors, and 80 hydrogen bond acceptors.

Where does this data come from?

All data for benzenesulfonyl chloride;benzyl (2S,5R)-5-amino-2-methylpiperidine-1-carboxylate;2-bromopropane;2-(chloromethoxy)ethyl-trimethylsilane;ethyl 7-(benzenesulfonyl)-4-chloropyrrolo[2,3-d]pyrimidine-5-carboxylate;ethyl 7-(benzenesulfonyl)-4-[[(3R,6S)-6-methyl-1-phenylmethoxycarbonylpiperidin-3-yl]amino]pyrrolo[2,3-d]pyrimidine-5-carboxylate;ethyl 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate;ethyl 4-[[(3R,6S)-6-methyl-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate;ethyl 4-[[(3R,6S)-6-methyl-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carboxylate;4-[[(3R,6S)-6-methyl-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carboxylic acid;propan-2-yl 4-[[(3R,6S)-6-methyl-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate;propan-2-yl 4-[[(3R,6S)-6-methyl-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carboxylate;propan-2-yl 4-[[(3R,6S)-6-methylpiperidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate;propan-2-yl 4-[[(3R,6S)-6-methyl-1-prop-2-enoylpiperidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate;prop-2-enoyl chloride is sourced from PubChem (CID 167628876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).