[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1,1-difluoro-2-oxoethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;bis[(1,1-difluoro-2-oxo-2-piperidin-1-ylethyl)sulfonyl]azanide;1-[4-(2-cyclohexylethoxy)-2-methylnaphthalen-1-yl]-3,4-dimethylthiolan-1-ium;(4-cyclohexyloxynaphthalen-1-yl)-diphenylsulfanium;1-[5-cyclohexyloxy-8-(thian-1-ium-1-yl)naphthalen-2-yl]ethanone;1-[4,8-di(cycloheptyloxy)naphthalen-1-yl]thiolan-1-ium;[1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[1,1-difluoro-2-oxo-2-(4-oxopiperidin-1-yl)ethyl]sulfonyl-(trifluoromethylsulfonyl)azanide

C151H187F19N8O30S12 — CID 158568400

About [2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1,1-difluoro-2-oxoethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;bis[(1,1-difluoro-2-oxo-2-piperidin-1-ylethyl)sulfonyl]azanide;1-[4-(2-cyclohexylethoxy)-2-methylnaphthalen-1-yl]-3,4-dimethylthiolan-1-ium;(4-cyclohexyloxynaphthalen-1-yl)-diphenylsulfanium;1-[5-cyclohexyloxy-8-(thian-1-ium-1-yl)naphthalen-2-yl]ethanone;1-[4,8-di(cycloheptyloxy)naphthalen-1-yl]thiolan-1-ium;[1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[1,1-difluoro-2-oxo-2-(4-oxopiperidin-1-yl)ethyl]sulfonyl-(trifluoromethylsulfonyl)azanide

[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1,1-difluoro-2-oxoethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;bis[(1,1-difluoro-2-oxo-2-piperidin-1-ylethyl)sulfonyl]azanide;1-[4-(2-cyclohexylethoxy)-2-methylnaphthalen-1-yl]-3,4-dimethylthiolan-1-ium;(4-cyclohexyloxynaphthalen-1-yl)-diphenylsulfanium;1-[5-cyclohexyloxy-8-(thian-1-ium-1-yl)naphthalen-2-yl]ethanone;1-[4,8-di(cycloheptyloxy)naphthalen-1-yl]thiolan-1-ium;[1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[1,1-difluoro-2-oxo-2-(4-oxopiperidin-1-yl)ethyl]sulfonyl-(trifluoromethylsulfonyl)azanide (PubChem CID 158568400) has the molecular formula C151H187F19N8O30S12 and a molecular weight of 3339.95 g/mol. Its IUPAC name is [2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1,1-difluoro-2-oxoethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;bis[(1,1-difluoro-2-oxo-2-piperidin-1-ylethyl)sulfonyl]azanide;1-[4-(2-cyclohexylethoxy)-2-methylnaphthalen-1-yl]-3,4-dimethylthiolan-1-ium;(4-cyclohexyloxynaphthalen-1-yl)-diphenylsulfanium;1-[5-cyclohexyloxy-8-(thian-1-ium-1-yl)naphthalen-2-yl]ethanone;1-[4,8-di(cycloheptyloxy)naphthalen-1-yl]thiolan-1-ium;[1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[1,1-difluoro-2-oxo-2-(4-oxopiperidin-1-yl)ethyl]sulfonyl-(trifluoromethylsulfonyl)azanide.

Molecular Properties

• Compound Name: [2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1,1-difluoro-2-oxoethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;bis[(1,1-difluoro-2-oxo-2-piperidin-1-ylethyl)sulfonyl]azanide;1-[4-(2-cyclohexylethoxy)-2-methylnaphthalen-1-yl]-3,4-dimethylthiolan-1-ium;(4-cyclohexyloxynaphthalen-1-yl)-diphenylsulfanium;1-[5-cyclohexyloxy-8-(thian-1-ium-1-yl)naphthalen-2-yl]ethanone;1-[4,8-di(cycloheptyloxy)naphthalen-1-yl]thiolan-1-ium;[1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[1,1-difluoro-2-oxo-2-(4-oxopiperidin-1-yl)ethyl]sulfonyl-(trifluoromethylsulfonyl)azanide
• PubChem CID: 158568400
• Molecular Formula: C151H187F19N8O30S12
• Molecular Weight: 3339.95 g/mol
• Exact Mass: 3336.97
• IUPAC Name: [2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1,1-difluoro-2-oxoethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;bis[(1,1-difluoro-2-oxo-2-piperidin-1-ylethyl)sulfonyl]azanide;1-[4-(2-cyclohexylethoxy)-2-methylnaphthalen-1-yl]-3,4-dimethylthiolan-1-ium;(4-cyclohexyloxynaphthalen-1-yl)-diphenylsulfanium;1-[5-cyclohexyloxy-8-(thian-1-ium-1-yl)naphthalen-2-yl]ethanone;1-[4,8-di(cycloheptyloxy)naphthalen-1-yl]thiolan-1-ium;[1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[1,1-difluoro-2-oxo-2-(4-oxopiperidin-1-yl)ethyl]sulfonyl-(trifluoromethylsulfonyl)azanide
• SMILES: CC(=O)c1ccc2c(OC3CCCCC3)ccc([S+]3CCCCC3)c2c1.Cc1cc(OCCC2CCCCC2)c2ccccc2c1[S+]1CC(C)C(C)C1.O=C(N1CCCC2CCCCC21)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.O=C(N1CCCCC1)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)C(=O)N1CCCCC1.O=C1C2CC3CC1CC(OC(=O)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)(C3)C2.O=C1CCN(C(=O)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)CC1.c1cc(OC2CCCCCC2)c2c([S+]3CCCC3)ccc(OC3CCCCCC3)c2c1.c1ccc([S+](c2ccccc2)c2ccc(OC3CCCCC3)c3ccccc23)cc1
• InChI: InChI=1S/C28H39O2S.C28H27OS.C25H35OS.C23H29O2S.C14H20F4N3O6S2.C13H13F5NO7S2.C12H16F5N2O5S2.C8H8F5N2O6S2/c1-2-6-13-22(12-5-1)29-25-18-19-27(31-20-9-10-21-31)28-24(25)16-11-17-26(28)30-23-14-7-3-4-8-15-23;1-4-12-22(13-5-1)29-27-20-21-28(26-19-11-10-18-25(26)27)30(23-14-6-2-7-15-23)24-16-8-3-9-17-24;1-18-15-24(26-14-13-21-9-5-4-6-10-21)22-11-7-8-12-23(22)25(18)27-16-19(2)20(3)17-27;1-17(24)18-10-11-20-21(16-18)23(26-14-6-3-7-15-26)13-12-22(20)25-19-8-4-2-5-9-19;15-13(16,11(22)20-7-3-1-4-8-20)28(24,25)19-29(26,27)14(17,18)12(23)21-9-5-2-6-10-21;14-12(15,27(22,23)19-28(24,25)13(16,17)18)10(21)26-11-3-6-1-7(4-11)9(20)8(2-6)5-11;13-11(14,25(21,22)18-26(23,24)12(15,16)17)10(20)19-7-3-5-8-4-1-2-6-9(8)19;9-7(10,6(17)15-3-1-5(16)2-4-15)22(18,19)14-23(20,21)8(11,12)13/h11,16-19,22-23H,1-10,12-15,20-21H2;2-3,6-11,14-22H,1,4-5,12-13H2;7-8,11-12,15,19-21H,4-6,9-10,13-14,16-17H2,1-3H3;10-13,16,19H,2-9,14-15H2,1H3;1-10H2;6-8H,1-5H2;8-9H,1-7H2;1-4H2/q4*+1;4*-1
• InChIKey: HRTRPBLMMUSDEP-UHFFFAOYSA-N
• XLogP: 33.83
• TPSA: 534.42 Ų
• H-Bond Acceptors: 30
• Rotatable Bonds: 38
• Heavy Atoms: 220
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3339.95
LogP ≤ 5	33.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1,1-difluoro-2-oxoethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;bis[(1,1-difluoro-2-oxo-2-piperidin-1-ylethyl)sulfonyl]azanide;1-[4-(2-cyclohexylethoxy)-2-methylnaphthalen-1-yl]-3,4-dimethylthiolan-1-ium;(4-cyclohexyloxynaphthalen-1-yl)-diphenylsulfanium;1-[5-cyclohexyloxy-8-(thian-1-ium-1-yl)naphthalen-2-yl]ethanone;1-[4,8-di(cycloheptyloxy)naphthalen-1-yl]thiolan-1-ium;[1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[1,1-difluoro-2-oxo-2-(4-oxopiperidin-1-yl)ethyl]sulfonyl-(trifluoromethylsulfonyl)azanide?

The IUPAC name of [2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1,1-difluoro-2-oxoethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;bis[(1,1-difluoro-2-oxo-2-piperidin-1-ylethyl)sulfonyl]azanide;1-[4-(2-cyclohexylethoxy)-2-methylnaphthalen-1-yl]-3,4-dimethylthiolan-1-ium;(4-cyclohexyloxynaphthalen-1-yl)-diphenylsulfanium;1-[5-cyclohexyloxy-8-(thian-1-ium-1-yl)naphthalen-2-yl]ethanone;1-[4,8-di(cycloheptyloxy)naphthalen-1-yl]thiolan-1-ium;[1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[1,1-difluoro-2-oxo-2-(4-oxopiperidin-1-yl)ethyl]sulfonyl-(trifluoromethylsulfonyl)azanide (CID 158568400) is [2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1,1-difluoro-2-oxoethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;bis[(1,1-difluoro-2-oxo-2-piperidin-1-ylethyl)sulfonyl]azanide;1-[4-(2-cyclohexylethoxy)-2-methylnaphthalen-1-yl]-3,4-dimethylthiolan-1-ium;(4-cyclohexyloxynaphthalen-1-yl)-diphenylsulfanium;1-[5-cyclohexyloxy-8-(thian-1-ium-1-yl)naphthalen-2-yl]ethanone;1-[4,8-di(cycloheptyloxy)naphthalen-1-yl]thiolan-1-ium;[1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[1,1-difluoro-2-oxo-2-(4-oxopiperidin-1-yl)ethyl]sulfonyl-(trifluoromethylsulfonyl)azanide.

What is the SMILES notation for [2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1,1-difluoro-2-oxoethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;bis[(1,1-difluoro-2-oxo-2-piperidin-1-ylethyl)sulfonyl]azanide;1-[4-(2-cyclohexylethoxy)-2-methylnaphthalen-1-yl]-3,4-dimethylthiolan-1-ium;(4-cyclohexyloxynaphthalen-1-yl)-diphenylsulfanium;1-[5-cyclohexyloxy-8-(thian-1-ium-1-yl)naphthalen-2-yl]ethanone;1-[4,8-di(cycloheptyloxy)naphthalen-1-yl]thiolan-1-ium;[1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[1,1-difluoro-2-oxo-2-(4-oxopiperidin-1-yl)ethyl]sulfonyl-(trifluoromethylsulfonyl)azanide?

The canonical SMILES for [2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1,1-difluoro-2-oxoethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;bis[(1,1-difluoro-2-oxo-2-piperidin-1-ylethyl)sulfonyl]azanide;1-[4-(2-cyclohexylethoxy)-2-methylnaphthalen-1-yl]-3,4-dimethylthiolan-1-ium;(4-cyclohexyloxynaphthalen-1-yl)-diphenylsulfanium;1-[5-cyclohexyloxy-8-(thian-1-ium-1-yl)naphthalen-2-yl]ethanone;1-[4,8-di(cycloheptyloxy)naphthalen-1-yl]thiolan-1-ium;[1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[1,1-difluoro-2-oxo-2-(4-oxopiperidin-1-yl)ethyl]sulfonyl-(trifluoromethylsulfonyl)azanide is CC(=O)c1ccc2c(OC3CCCCC3)ccc([S+]3CCCCC3)c2c1.Cc1cc(OCCC2CCCCC2)c2ccccc2c1[S+]1CC(C)C(C)C1.O=C(N1CCCC2CCCCC21)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.O=C(N1CCCCC1)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)C(=O)N1CCCCC1.O=C1C2CC3CC1CC(OC(=O)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)(C3)C2.O=C1CCN(C(=O)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)CC1.c1cc(OC2CCCCCC2)c2c([S+]3CCCC3)ccc(OC3CCCCCC3)c2c1.c1ccc([S+](c2ccccc2)c2ccc(OC3CCCCC3)c3ccccc23)cc1.

What is the InChIKey of [2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1,1-difluoro-2-oxoethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;bis[(1,1-difluoro-2-oxo-2-piperidin-1-ylethyl)sulfonyl]azanide;1-[4-(2-cyclohexylethoxy)-2-methylnaphthalen-1-yl]-3,4-dimethylthiolan-1-ium;(4-cyclohexyloxynaphthalen-1-yl)-diphenylsulfanium;1-[5-cyclohexyloxy-8-(thian-1-ium-1-yl)naphthalen-2-yl]ethanone;1-[4,8-di(cycloheptyloxy)naphthalen-1-yl]thiolan-1-ium;[1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[1,1-difluoro-2-oxo-2-(4-oxopiperidin-1-yl)ethyl]sulfonyl-(trifluoromethylsulfonyl)azanide?

The InChIKey is HRTRPBLMMUSDEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39O2S.C28H27OS.C25H35OS.C23H29O2S.C14H20F4N3O6S2.C13H13F5NO7S2.C12H16F5N2O5S2.C8H8F5N2O6S2/c1-2-6-13-22(12-5-1)29-25-18-19-27(31-20-9-10-21-31)28-24(25)16-11-17-26(28)30-23-14-7-3-4-8-15-23;1-4-12-22(13-5-1)29-27-20-21-28(26-19-11-10-18-25(26)27)30(23-14-6-2-7-15-23)24-16-8-3-9-17-24;1-18-15-24(26-14-13-21-9-5-4-6-10-21)22-11-7-8-12-23(22)25(18)27-16-19(2)20(3)17-27;1-17(24)18-10-11-20-21(16-18)23(26-14-6-3-7-15-26)13-12-22(20)25-19-8-4-2-5-9-19;15-13(16,11(22)20-7-3-1-4-8-20)28(24,25)19-29(26,27)14(17,18)12(23)21-9-5-2-6-10-21;14-12(15,27(22,23)19-28(24,25)13(16,17)18)10(21)26-11-3-6-1-7(4-11)9(20)8(2-6)5-11;13-11(14,25(21,22)18-26(23,24)12(15,16)17)10(20)19-7-3-5-8-4-1-2-6-9(8)19;9-7(10,6(17)15-3-1-5(16)2-4-15)22(18,19)14-23(20,21)8(11,12)13/h11,16-19,22-23H,1-10,12-15,20-21H2;2-3,6-11,14-22H,1,4-5,12-13H2;7-8,11-12,15,19-21H,4-6,9-10,13-14,16-17H2,1-3H3;10-13,16,19H,2-9,14-15H2,1H3;1-10H2;6-8H,1-5H2;8-9H,1-7H2;1-4H2/q4*+1;4*-1.

What are the key properties of [2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1,1-difluoro-2-oxoethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;bis[(1,1-difluoro-2-oxo-2-piperidin-1-ylethyl)sulfonyl]azanide;1-[4-(2-cyclohexylethoxy)-2-methylnaphthalen-1-yl]-3,4-dimethylthiolan-1-ium;(4-cyclohexyloxynaphthalen-1-yl)-diphenylsulfanium;1-[5-cyclohexyloxy-8-(thian-1-ium-1-yl)naphthalen-2-yl]ethanone;1-[4,8-di(cycloheptyloxy)naphthalen-1-yl]thiolan-1-ium;[1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[1,1-difluoro-2-oxo-2-(4-oxopiperidin-1-yl)ethyl]sulfonyl-(trifluoromethylsulfonyl)azanide?

[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1,1-difluoro-2-oxoethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;bis[(1,1-difluoro-2-oxo-2-piperidin-1-ylethyl)sulfonyl]azanide;1-[4-(2-cyclohexylethoxy)-2-methylnaphthalen-1-yl]-3,4-dimethylthiolan-1-ium;(4-cyclohexyloxynaphthalen-1-yl)-diphenylsulfanium;1-[5-cyclohexyloxy-8-(thian-1-ium-1-yl)naphthalen-2-yl]ethanone;1-[4,8-di(cycloheptyloxy)naphthalen-1-yl]thiolan-1-ium;[1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[1,1-difluoro-2-oxo-2-(4-oxopiperidin-1-yl)ethyl]sulfonyl-(trifluoromethylsulfonyl)azanide has a molecular weight of 3339.95 g/mol, XLogP of 33.83, 38 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1,1-difluoro-2-oxoethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;bis[(1,1-difluoro-2-oxo-2-piperidin-1-ylethyl)sulfonyl]azanide;1-[4-(2-cyclohexylethoxy)-2-methylnaphthalen-1-yl]-3,4-dimethylthiolan-1-ium;(4-cyclohexyloxynaphthalen-1-yl)-diphenylsulfanium;1-[5-cyclohexyloxy-8-(thian-1-ium-1-yl)naphthalen-2-yl]ethanone;1-[4,8-di(cycloheptyloxy)naphthalen-1-yl]thiolan-1-ium;[1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[1,1-difluoro-2-oxo-2-(4-oxopiperidin-1-yl)ethyl]sulfonyl-(trifluoromethylsulfonyl)azanide is sourced from PubChem (CID 158568400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).