[4-(1-adamantyl)-1,1-difluoro-2-oxopentyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethyl]sulfonyl-(1,1-difluoro-2-oxo-2-piperidin-1-ylethyl)sulfonylazanide;[2-[N-(1-adamantylmethyl)anilino]-1,1-difluoro-2-oxoethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-tert-butylphenyl)thiolan-1-ium;[1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;5-phenylthianthren-5-ium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone

C131H155F19N6O26S13 — CID 159919182

About [4-(1-adamantyl)-1,1-difluoro-2-oxopentyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethyl]sulfonyl-(1,1-difluoro-2-oxo-2-piperidin-1-ylethyl)sulfonylazanide;[2-[N-(1-adamantylmethyl)anilino]-1,1-difluoro-2-oxoethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-tert-butylphenyl)thiolan-1-ium;[1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;5-phenylthianthren-5-ium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone

[4-(1-adamantyl)-1,1-difluoro-2-oxopentyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethyl]sulfonyl-(1,1-difluoro-2-oxo-2-piperidin-1-ylethyl)sulfonylazanide;[2-[N-(1-adamantylmethyl)anilino]-1,1-difluoro-2-oxoethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-tert-butylphenyl)thiolan-1-ium;[1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;5-phenylthianthren-5-ium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone (PubChem CID 159919182) has the molecular formula C131H155F19N6O26S13 and a molecular weight of 3007.53 g/mol. Its IUPAC name is [4-(1-adamantyl)-1,1-difluoro-2-oxopentyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethyl]sulfonyl-(1,1-difluoro-2-oxo-2-piperidin-1-ylethyl)sulfonylazanide;[2-[N-(1-adamantylmethyl)anilino]-1,1-difluoro-2-oxoethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-tert-butylphenyl)thiolan-1-ium;[1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;5-phenylthianthren-5-ium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone.

Molecular Properties

• Compound Name: [4-(1-adamantyl)-1,1-difluoro-2-oxopentyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethyl]sulfonyl-(1,1-difluoro-2-oxo-2-piperidin-1-ylethyl)sulfonylazanide;[2-[N-(1-adamantylmethyl)anilino]-1,1-difluoro-2-oxoethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-tert-butylphenyl)thiolan-1-ium;[1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;5-phenylthianthren-5-ium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone
• PubChem CID: 159919182
• Molecular Formula: C131H155F19N6O26S13
• Molecular Weight: 3007.53 g/mol
• Exact Mass: 3004.71
• IUPAC Name: [4-(1-adamantyl)-1,1-difluoro-2-oxopentyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethyl]sulfonyl-(1,1-difluoro-2-oxo-2-piperidin-1-ylethyl)sulfonylazanide;[2-[N-(1-adamantylmethyl)anilino]-1,1-difluoro-2-oxoethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-tert-butylphenyl)thiolan-1-ium;[1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;5-phenylthianthren-5-ium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone
• SMILES: CC(C)(C)c1ccc([S+]2CCCC2)cc1.CC(CC(=O)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)C12CC3CC(CC(C3)C1)C2.CCCCOc1ccc([S+]2CCCC2)c2ccccc12.O=C(C[S+]1CCCC1)c1ccccc1.O=C(N(CC12CC3CC(CC(C3)C1)C2)c1ccccc1)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.O=C(OCC12CC3CC(CC(C3)C1)C2)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.c1ccc([S+]2c3ccccc3Sc3ccccc32)cc1
• InChI: InChI=1S/C20H22F5N2O5S2.C20H27F4N2O7S2.C18H23OS.C18H13S2.C16H21F5NO5S2.C14H21S.C13H13F5NO7S2.C12H15OS/c21-19(22,33(29,30)26-34(31,32)20(23,24)25)17(28)27(16-4-2-1-3-5-16)12-18-9-13-6-14(10-18)8-15(7-13)11-18;21-19(22,16(27)26-4-2-1-3-5-26)34(29,30)25-35(31,32)20(23,24)17(28)33-12-18-9-13-6-14(10-18)8-15(7-13)11-18;1-2-3-12-19-17-10-11-18(20-13-6-7-14-20)16-9-5-4-8-15(16)17;1-2-8-14(9-3-1)20-17-12-6-4-10-15(17)19-16-11-5-7-13-18(16)20;1-9(14-6-10-3-11(7-14)5-12(4-10)8-14)2-13(23)15(17,18)28(24,25)22-29(26,27)16(19,20)21;1-14(2,3)12-6-8-13(9-7-12)15-10-4-5-11-15;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;13-12(10-14-8-4-5-9-14)11-6-2-1-3-7-11/h1-5,13-15H,6-12H2;13-15H,1-12H2;4-5,8-11H,2-3,6-7,12-14H2,1H3;1-13H;9-12H,2-8H2,1H3;6-9H,4-5,10-11H2,1-3H3;6-8H,1-5H2;1-3,6-7H,4-5,8-10H2/q2*-1;2*+1;-1;+1;-1;+1
• InChIKey: NYEGFMRLMQJGAY-UHFFFAOYSA-N
• XLogP: 29.20
• TPSA: 483.18 Ų
• H-Bond Acceptors: 27
• Rotatable Bonds: 37
• Heavy Atoms: 195
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3007.53
LogP ≤ 5	29.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-(1-adamantyl)-1,1-difluoro-2-oxopentyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethyl]sulfonyl-(1,1-difluoro-2-oxo-2-piperidin-1-ylethyl)sulfonylazanide;[2-[N-(1-adamantylmethyl)anilino]-1,1-difluoro-2-oxoethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-tert-butylphenyl)thiolan-1-ium;[1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;5-phenylthianthren-5-ium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone?

The IUPAC name of [4-(1-adamantyl)-1,1-difluoro-2-oxopentyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethyl]sulfonyl-(1,1-difluoro-2-oxo-2-piperidin-1-ylethyl)sulfonylazanide;[2-[N-(1-adamantylmethyl)anilino]-1,1-difluoro-2-oxoethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-tert-butylphenyl)thiolan-1-ium;[1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;5-phenylthianthren-5-ium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone (CID 159919182) is [4-(1-adamantyl)-1,1-difluoro-2-oxopentyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethyl]sulfonyl-(1,1-difluoro-2-oxo-2-piperidin-1-ylethyl)sulfonylazanide;[2-[N-(1-adamantylmethyl)anilino]-1,1-difluoro-2-oxoethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-tert-butylphenyl)thiolan-1-ium;[1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;5-phenylthianthren-5-ium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone.

What is the SMILES notation for [4-(1-adamantyl)-1,1-difluoro-2-oxopentyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethyl]sulfonyl-(1,1-difluoro-2-oxo-2-piperidin-1-ylethyl)sulfonylazanide;[2-[N-(1-adamantylmethyl)anilino]-1,1-difluoro-2-oxoethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-tert-butylphenyl)thiolan-1-ium;[1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;5-phenylthianthren-5-ium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone?

The canonical SMILES for [4-(1-adamantyl)-1,1-difluoro-2-oxopentyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethyl]sulfonyl-(1,1-difluoro-2-oxo-2-piperidin-1-ylethyl)sulfonylazanide;[2-[N-(1-adamantylmethyl)anilino]-1,1-difluoro-2-oxoethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-tert-butylphenyl)thiolan-1-ium;[1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;5-phenylthianthren-5-ium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone is CC(C)(C)c1ccc([S+]2CCCC2)cc1.CC(CC(=O)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)C12CC3CC(CC(C3)C1)C2.CCCCOc1ccc([S+]2CCCC2)c2ccccc12.O=C(C[S+]1CCCC1)c1ccccc1.O=C(N(CC12CC3CC(CC(C3)C1)C2)c1ccccc1)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.O=C(OCC12CC3CC(CC(C3)C1)C2)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.c1ccc([S+]2c3ccccc3Sc3ccccc32)cc1.

What is the InChIKey of [4-(1-adamantyl)-1,1-difluoro-2-oxopentyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethyl]sulfonyl-(1,1-difluoro-2-oxo-2-piperidin-1-ylethyl)sulfonylazanide;[2-[N-(1-adamantylmethyl)anilino]-1,1-difluoro-2-oxoethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-tert-butylphenyl)thiolan-1-ium;[1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;5-phenylthianthren-5-ium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone?

The InChIKey is NYEGFMRLMQJGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F5N2O5S2.C20H27F4N2O7S2.C18H23OS.C18H13S2.C16H21F5NO5S2.C14H21S.C13H13F5NO7S2.C12H15OS/c21-19(22,33(29,30)26-34(31,32)20(23,24)25)17(28)27(16-4-2-1-3-5-16)12-18-9-13-6-14(10-18)8-15(7-13)11-18;21-19(22,16(27)26-4-2-1-3-5-26)34(29,30)25-35(31,32)20(23,24)17(28)33-12-18-9-13-6-14(10-18)8-15(7-13)11-18;1-2-3-12-19-17-10-11-18(20-13-6-7-14-20)16-9-5-4-8-15(16)17;1-2-8-14(9-3-1)20-17-12-6-4-10-15(17)19-16-11-5-7-13-18(16)20;1-9(14-6-10-3-11(7-14)5-12(4-10)8-14)2-13(23)15(17,18)28(24,25)22-29(26,27)16(19,20)21;1-14(2,3)12-6-8-13(9-7-12)15-10-4-5-11-15;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;13-12(10-14-8-4-5-9-14)11-6-2-1-3-7-11/h1-5,13-15H,6-12H2;13-15H,1-12H2;4-5,8-11H,2-3,6-7,12-14H2,1H3;1-13H;9-12H,2-8H2,1H3;6-9H,4-5,10-11H2,1-3H3;6-8H,1-5H2;1-3,6-7H,4-5,8-10H2/q2*-1;2*+1;-1;+1;-1;+1.

What are the key properties of [4-(1-adamantyl)-1,1-difluoro-2-oxopentyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethyl]sulfonyl-(1,1-difluoro-2-oxo-2-piperidin-1-ylethyl)sulfonylazanide;[2-[N-(1-adamantylmethyl)anilino]-1,1-difluoro-2-oxoethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-tert-butylphenyl)thiolan-1-ium;[1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;5-phenylthianthren-5-ium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone?

[4-(1-adamantyl)-1,1-difluoro-2-oxopentyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethyl]sulfonyl-(1,1-difluoro-2-oxo-2-piperidin-1-ylethyl)sulfonylazanide;[2-[N-(1-adamantylmethyl)anilino]-1,1-difluoro-2-oxoethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-tert-butylphenyl)thiolan-1-ium;[1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;5-phenylthianthren-5-ium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone has a molecular weight of 3007.53 g/mol, XLogP of 29.20, 37 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(1-adamantyl)-1,1-difluoro-2-oxopentyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethyl]sulfonyl-(1,1-difluoro-2-oxo-2-piperidin-1-ylethyl)sulfonylazanide;[2-[N-(1-adamantylmethyl)anilino]-1,1-difluoro-2-oxoethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-tert-butylphenyl)thiolan-1-ium;[1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;5-phenylthianthren-5-ium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone is sourced from PubChem (CID 159919182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).