adamantane-1-carboxylate;2-(1-adamantyloxy)-2-oxoacetate;3,3-difluorobutanoate;[difluoro-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylmethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[difluoro-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]sulfonylmethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2,4-dimethyl-1,3,5-tri(propan-2-yl)benzene;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;4-oxoadamantane-1-sulfonate;1,2,4-trimethylbenzene;nonakis(triphenylsulfanium)

C256H261F24N9O34S19+2 — CID 163520593

About adamantane-1-carboxylate;2-(1-adamantyloxy)-2-oxoacetate;3,3-difluorobutanoate;[difluoro-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylmethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[difluoro-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]sulfonylmethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2,4-dimethyl-1,3,5-tri(propan-2-yl)benzene;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;4-oxoadamantane-1-sulfonate;1,2,4-trimethylbenzene;nonakis(triphenylsulfanium)

adamantane-1-carboxylate;2-(1-adamantyloxy)-2-oxoacetate;3,3-difluorobutanoate;[difluoro-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylmethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[difluoro-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]sulfonylmethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2,4-dimethyl-1,3,5-tri(propan-2-yl)benzene;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;4-oxoadamantane-1-sulfonate;1,2,4-trimethylbenzene;nonakis(triphenylsulfanium) (PubChem CID 163520593) has the molecular formula C256H261F24N9O34S19+2 and a molecular weight of 5073.16 g/mol. Its IUPAC name is adamantane-1-carboxylate;2-(1-adamantyloxy)-2-oxoacetate;3,3-difluorobutanoate;[difluoro-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylmethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[difluoro-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]sulfonylmethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2,4-dimethyl-1,3,5-tri(propan-2-yl)benzene;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;4-oxoadamantane-1-sulfonate;1,2,4-trimethylbenzene;nonakis(triphenylsulfanium).

Molecular Properties

• Compound Name: adamantane-1-carboxylate;2-(1-adamantyloxy)-2-oxoacetate;3,3-difluorobutanoate;[difluoro-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylmethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[difluoro-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]sulfonylmethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2,4-dimethyl-1,3,5-tri(propan-2-yl)benzene;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;4-oxoadamantane-1-sulfonate;1,2,4-trimethylbenzene;nonakis(triphenylsulfanium)
• PubChem CID: 163520593
• Molecular Formula: C256H261F24N9O34S19+2
• Molecular Weight: 5073.16 g/mol
• Exact Mass: 5068.33
• IUPAC Name: adamantane-1-carboxylate;2-(1-adamantyloxy)-2-oxoacetate;3,3-difluorobutanoate;[difluoro-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylmethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[difluoro-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]sulfonylmethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2,4-dimethyl-1,3,5-tri(propan-2-yl)benzene;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;4-oxoadamantane-1-sulfonate;1,2,4-trimethylbenzene;nonakis(triphenylsulfanium)
• SMILES: CC(F)(F)CC(=O)[O-].Cc1c(C(C)C)cc(C(C)C)c(C)c1C(C)C.Cc1ccc(C)c(C)c1.O=C([O-])C(=O)OC12CC3CC(CC(C3)C1)C2.O=C([O-])C12CC3CC(CC(C3)C1)C2.O=C1C2CC3CC1CC(S(=O)(=O)[O-])(C3)C2.O=C1OCCC1N1CCN(S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)CC1.O=C1OCCC1N1CCN(S(=O)(=O)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)CC1.O=S(=O)([N-]S(=O)(=O)C(F)(F)S(=O)(=O)N1CCN(CCC(F)(F)F)CC1)C(F)(F)F.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/9C18H15S.C17H28.C12H13F9N3O8S3.C12H16O4.C11H16O2.C10H13F5N3O8S3.C10H14O4S.C9H12F8N3O6S3.C9H12.C4H6F2O2/c9*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-10(2)15-9-16(11(3)4)14(8)17(12(5)6)13(15)7;13-9(14,10(15,16)33(26,27)22-34(28,29)12(19,20)21)11(17,18)35(30,31)24-4-2-23(3-5-24)7-1-6-32-8(7)25;13-10(14)11(15)16-12-4-7-1-8(5-12)3-9(2-7)6-12;12-10(13)11-4-7-1-8(5-11)3-9(2-7)6-11;11-9(12,13)27(20,21)16-28(22,23)10(14,15)29(24,25)18-4-2-17(3-5-18)7-1-6-26-8(7)19;11-9-7-1-6-2-8(9)5-10(3-6,4-7)15(12,13)14;10-7(11,12)1-2-19-3-5-20(6-4-19)29(25,26)9(16,17)28(23,24)18-27(21,22)8(13,14)15;1-7-4-5-8(2)9(3)6-7;1-4(5,6)2-3(7)8/h9*1-15H;9-12H,1-8H3;7H,1-6H2;7-9H,1-6H2,(H,13,14);7-9H,1-6H2,(H,12,13);7H,1-6H2;6-8H,1-5H2,(H,12,13,14);1-6H2;4-6H,1-3H3;2H2,1H3,(H,7,8)/q9*+1;;-1;;;-1;;-1;;/p-4
• InChIKey: DKLSTVMRHPEGRN-UHFFFAOYSA-J
• XLogP: 53.95
• TPSA: 642.56 Ų
• H-Bond Acceptors: 37
• Rotatable Bonds: 56
• Heavy Atoms: 342
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	5073.16
LogP ≤ 5	53.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of adamantane-1-carboxylate;2-(1-adamantyloxy)-2-oxoacetate;3,3-difluorobutanoate;[difluoro-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylmethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[difluoro-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]sulfonylmethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2,4-dimethyl-1,3,5-tri(propan-2-yl)benzene;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;4-oxoadamantane-1-sulfonate;1,2,4-trimethylbenzene;nonakis(triphenylsulfanium)?

The IUPAC name of adamantane-1-carboxylate;2-(1-adamantyloxy)-2-oxoacetate;3,3-difluorobutanoate;[difluoro-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylmethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[difluoro-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]sulfonylmethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2,4-dimethyl-1,3,5-tri(propan-2-yl)benzene;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;4-oxoadamantane-1-sulfonate;1,2,4-trimethylbenzene;nonakis(triphenylsulfanium) (CID 163520593) is adamantane-1-carboxylate;2-(1-adamantyloxy)-2-oxoacetate;3,3-difluorobutanoate;[difluoro-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylmethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[difluoro-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]sulfonylmethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2,4-dimethyl-1,3,5-tri(propan-2-yl)benzene;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;4-oxoadamantane-1-sulfonate;1,2,4-trimethylbenzene;nonakis(triphenylsulfanium).

What is the SMILES notation for adamantane-1-carboxylate;2-(1-adamantyloxy)-2-oxoacetate;3,3-difluorobutanoate;[difluoro-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylmethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[difluoro-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]sulfonylmethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2,4-dimethyl-1,3,5-tri(propan-2-yl)benzene;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;4-oxoadamantane-1-sulfonate;1,2,4-trimethylbenzene;nonakis(triphenylsulfanium)?

The canonical SMILES for adamantane-1-carboxylate;2-(1-adamantyloxy)-2-oxoacetate;3,3-difluorobutanoate;[difluoro-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylmethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[difluoro-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]sulfonylmethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2,4-dimethyl-1,3,5-tri(propan-2-yl)benzene;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;4-oxoadamantane-1-sulfonate;1,2,4-trimethylbenzene;nonakis(triphenylsulfanium) is CC(F)(F)CC(=O)[O-].Cc1c(C(C)C)cc(C(C)C)c(C)c1C(C)C.Cc1ccc(C)c(C)c1.O=C([O-])C(=O)OC12CC3CC(CC(C3)C1)C2.O=C([O-])C12CC3CC(CC(C3)C1)C2.O=C1C2CC3CC1CC(S(=O)(=O)[O-])(C3)C2.O=C1OCCC1N1CCN(S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)CC1.O=C1OCCC1N1CCN(S(=O)(=O)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)CC1.O=S(=O)([N-]S(=O)(=O)C(F)(F)S(=O)(=O)N1CCN(CCC(F)(F)F)CC1)C(F)(F)F.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of adamantane-1-carboxylate;2-(1-adamantyloxy)-2-oxoacetate;3,3-difluorobutanoate;[difluoro-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylmethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[difluoro-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]sulfonylmethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2,4-dimethyl-1,3,5-tri(propan-2-yl)benzene;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;4-oxoadamantane-1-sulfonate;1,2,4-trimethylbenzene;nonakis(triphenylsulfanium)?

The InChIKey is DKLSTVMRHPEGRN-UHFFFAOYSA-J. The full InChI is InChI=1S/9C18H15S.C17H28.C12H13F9N3O8S3.C12H16O4.C11H16O2.C10H13F5N3O8S3.C10H14O4S.C9H12F8N3O6S3.C9H12.C4H6F2O2/c9*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-10(2)15-9-16(11(3)4)14(8)17(12(5)6)13(15)7;13-9(14,10(15,16)33(26,27)22-34(28,29)12(19,20)21)11(17,18)35(30,31)24-4-2-23(3-5-24)7-1-6-32-8(7)25;13-10(14)11(15)16-12-4-7-1-8(5-12)3-9(2-7)6-12;12-10(13)11-4-7-1-8(5-11)3-9(2-7)6-11;11-9(12,13)27(20,21)16-28(22,23)10(14,15)29(24,25)18-4-2-17(3-5-18)7-1-6-26-8(7)19;11-9-7-1-6-2-8(9)5-10(3-6,4-7)15(12,13)14;10-7(11,12)1-2-19-3-5-20(6-4-19)29(25,26)9(16,17)28(23,24)18-27(21,22)8(13,14)15;1-7-4-5-8(2)9(3)6-7;1-4(5,6)2-3(7)8/h9*1-15H;9-12H,1-8H3;7H,1-6H2;7-9H,1-6H2,(H,13,14);7-9H,1-6H2,(H,12,13);7H,1-6H2;6-8H,1-5H2,(H,12,13,14);1-6H2;4-6H,1-3H3;2H2,1H3,(H,7,8)/q9*+1;;-1;;;-1;;-1;;/p-4.

What are the key properties of adamantane-1-carboxylate;2-(1-adamantyloxy)-2-oxoacetate;3,3-difluorobutanoate;[difluoro-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylmethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[difluoro-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]sulfonylmethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2,4-dimethyl-1,3,5-tri(propan-2-yl)benzene;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;4-oxoadamantane-1-sulfonate;1,2,4-trimethylbenzene;nonakis(triphenylsulfanium)?

adamantane-1-carboxylate;2-(1-adamantyloxy)-2-oxoacetate;3,3-difluorobutanoate;[difluoro-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylmethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[difluoro-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]sulfonylmethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2,4-dimethyl-1,3,5-tri(propan-2-yl)benzene;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;4-oxoadamantane-1-sulfonate;1,2,4-trimethylbenzene;nonakis(triphenylsulfanium) has a molecular weight of 5073.16 g/mol, XLogP of 53.95, 56 rotatable bonds, 0 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for adamantane-1-carboxylate;2-(1-adamantyloxy)-2-oxoacetate;3,3-difluorobutanoate;[difluoro-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylmethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[difluoro-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]sulfonylmethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2,4-dimethyl-1,3,5-tri(propan-2-yl)benzene;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;4-oxoadamantane-1-sulfonate;1,2,4-trimethylbenzene;nonakis(triphenylsulfanium) is sourced from PubChem (CID 163520593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).