4-(adamantane-1-carbonyloxy)-1,1,2,2,3,3,5,5,5-nonafluoropentane-1-sulfonate;bis(2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);3-(1-adamantyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;[4-[1,5-bis(dimethylamino)pentan-3-yl]phenyl]-diphenylsulfanium;[4-[(dimethylamino)methoxy]phenyl]-diphenylsulfanium;[4-[7-(dipropylamino)heptoxy]phenyl]-diphenylsulfanium;phenyl-bis[4-(2-piperidin-1-ylethoxy)phenyl]sulfanium

C168H203F25N6O22S8 — CID 161393870

About 4-(adamantane-1-carbonyloxy)-1,1,2,2,3,3,5,5,5-nonafluoropentane-1-sulfonate;bis(2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);3-(1-adamantyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;[4-[1,5-bis(dimethylamino)pentan-3-yl]phenyl]-diphenylsulfanium;[4-[(dimethylamino)methoxy]phenyl]-diphenylsulfanium;[4-[7-(dipropylamino)heptoxy]phenyl]-diphenylsulfanium;phenyl-bis[4-(2-piperidin-1-ylethoxy)phenyl]sulfanium

4-(adamantane-1-carbonyloxy)-1,1,2,2,3,3,5,5,5-nonafluoropentane-1-sulfonate;bis(2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);3-(1-adamantyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;[4-[1,5-bis(dimethylamino)pentan-3-yl]phenyl]-diphenylsulfanium;[4-[(dimethylamino)methoxy]phenyl]-diphenylsulfanium;[4-[7-(dipropylamino)heptoxy]phenyl]-diphenylsulfanium;phenyl-bis[4-(2-piperidin-1-ylethoxy)phenyl]sulfanium (PubChem CID 161393870) has the molecular formula C168H203F25N6O22S8 and a molecular weight of 3389.98 g/mol. Its IUPAC name is 4-(adamantane-1-carbonyloxy)-1,1,2,2,3,3,5,5,5-nonafluoropentane-1-sulfonate;bis(2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);3-(1-adamantyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;[4-[1,5-bis(dimethylamino)pentan-3-yl]phenyl]-diphenylsulfanium;[4-[(dimethylamino)methoxy]phenyl]-diphenylsulfanium;[4-[7-(dipropylamino)heptoxy]phenyl]-diphenylsulfanium;phenyl-bis[4-(2-piperidin-1-ylethoxy)phenyl]sulfanium.

Molecular Properties

• Compound Name: 4-(adamantane-1-carbonyloxy)-1,1,2,2,3,3,5,5,5-nonafluoropentane-1-sulfonate;bis(2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);3-(1-adamantyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;[4-[1,5-bis(dimethylamino)pentan-3-yl]phenyl]-diphenylsulfanium;[4-[(dimethylamino)methoxy]phenyl]-diphenylsulfanium;[4-[7-(dipropylamino)heptoxy]phenyl]-diphenylsulfanium;phenyl-bis[4-(2-piperidin-1-ylethoxy)phenyl]sulfanium
• PubChem CID: 161393870
• Molecular Formula: C168H203F25N6O22S8
• Molecular Weight: 3389.98 g/mol
• Exact Mass: 3387.23
• IUPAC Name: 4-(adamantane-1-carbonyloxy)-1,1,2,2,3,3,5,5,5-nonafluoropentane-1-sulfonate;bis(2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);3-(1-adamantyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;[4-[1,5-bis(dimethylamino)pentan-3-yl]phenyl]-diphenylsulfanium;[4-[(dimethylamino)methoxy]phenyl]-diphenylsulfanium;[4-[7-(dipropylamino)heptoxy]phenyl]-diphenylsulfanium;phenyl-bis[4-(2-piperidin-1-ylethoxy)phenyl]sulfanium
• SMILES: CCCN(CCC)CCCCCCCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1.CN(C)CCC(CCN(C)C)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.CN(C)COc1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=C(OC(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[O-])C12CC3CC(CC(C3)C1)C2.O=C(OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])C12CC3CC(CC(C3)C1)C2.O=C(OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])C12CC3CC(CC(C3)C1)C2.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C12CC3CC(CC(C3)C1)C2.c1ccc([S+](c2ccc(OCCN3CCCCC3)cc2)c2ccc(OCCN3CCCCC3)cc2)cc1
• InChI: InChI=1S/C32H41N2O2S.C31H42NOS.C27H35N2S.C21H22NOS.C16H17F9O5S.2C14H17F5O5S.C13H16F6O3S/c1-4-10-30(11-5-1)37(31-16-12-28(13-17-31)35-26-24-33-20-6-2-7-21-33)32-18-14-29(15-19-32)36-27-25-34-22-8-3-9-23-34;1-3-24-32(25-4-2)26-14-6-5-7-15-27-33-28-20-22-31(23-21-28)34(29-16-10-8-11-17-29)30-18-12-9-13-19-30;1-28(2)21-19-24(20-22-29(3)4)23-15-17-27(18-16-23)30(25-11-7-5-8-12-25)26-13-9-6-10-14-26;1-22(2)17-23-18-13-15-21(16-14-18)24(19-9-5-3-6-10-19)20-11-7-4-8-12-20;17-13(18,15(22,23)16(24,25)31(27,28)29)10(14(19,20)21)30-11(26)12-4-7-1-8(5-12)3-9(2-7)6-12;2*15-13(16,17)10(14(18,19)25(21,22)23)24-11(20)12-4-7-1-8(5-12)3-9(2-7)6-12;14-11(15,12(16,17)13(18,19)23(20,21)22)10-4-7-1-8(5-10)3-9(2-7)6-10/h1,4-5,10-19H,2-3,6-9,20-27H2;8-13,16-23H,3-7,14-15,24-27H2,1-2H3;5-18,24H,19-22H2,1-4H3;3-16H,17H2,1-2H3;7-10H,1-6H2,(H,27,28,29);2*7-10H,1-6H2,(H,21,22,23);7-9H,1-6H2,(H,20,21,22)/q4*+1;;;;/p-4
• InChIKey: VTILHLSKFCYEAI-UHFFFAOYSA-J
• XLogP: 38.52
• TPSA: 364.06 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 61
• Heavy Atoms: 229
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3389.98
LogP ≤ 5	38.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(adamantane-1-carbonyloxy)-1,1,2,2,3,3,5,5,5-nonafluoropentane-1-sulfonate;bis(2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);3-(1-adamantyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;[4-[1,5-bis(dimethylamino)pentan-3-yl]phenyl]-diphenylsulfanium;[4-[(dimethylamino)methoxy]phenyl]-diphenylsulfanium;[4-[7-(dipropylamino)heptoxy]phenyl]-diphenylsulfanium;phenyl-bis[4-(2-piperidin-1-ylethoxy)phenyl]sulfanium?

The IUPAC name of 4-(adamantane-1-carbonyloxy)-1,1,2,2,3,3,5,5,5-nonafluoropentane-1-sulfonate;bis(2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);3-(1-adamantyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;[4-[1,5-bis(dimethylamino)pentan-3-yl]phenyl]-diphenylsulfanium;[4-[(dimethylamino)methoxy]phenyl]-diphenylsulfanium;[4-[7-(dipropylamino)heptoxy]phenyl]-diphenylsulfanium;phenyl-bis[4-(2-piperidin-1-ylethoxy)phenyl]sulfanium (CID 161393870) is 4-(adamantane-1-carbonyloxy)-1,1,2,2,3,3,5,5,5-nonafluoropentane-1-sulfonate;bis(2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);3-(1-adamantyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;[4-[1,5-bis(dimethylamino)pentan-3-yl]phenyl]-diphenylsulfanium;[4-[(dimethylamino)methoxy]phenyl]-diphenylsulfanium;[4-[7-(dipropylamino)heptoxy]phenyl]-diphenylsulfanium;phenyl-bis[4-(2-piperidin-1-ylethoxy)phenyl]sulfanium.

What is the SMILES notation for 4-(adamantane-1-carbonyloxy)-1,1,2,2,3,3,5,5,5-nonafluoropentane-1-sulfonate;bis(2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);3-(1-adamantyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;[4-[1,5-bis(dimethylamino)pentan-3-yl]phenyl]-diphenylsulfanium;[4-[(dimethylamino)methoxy]phenyl]-diphenylsulfanium;[4-[7-(dipropylamino)heptoxy]phenyl]-diphenylsulfanium;phenyl-bis[4-(2-piperidin-1-ylethoxy)phenyl]sulfanium?

The canonical SMILES for 4-(adamantane-1-carbonyloxy)-1,1,2,2,3,3,5,5,5-nonafluoropentane-1-sulfonate;bis(2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);3-(1-adamantyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;[4-[1,5-bis(dimethylamino)pentan-3-yl]phenyl]-diphenylsulfanium;[4-[(dimethylamino)methoxy]phenyl]-diphenylsulfanium;[4-[7-(dipropylamino)heptoxy]phenyl]-diphenylsulfanium;phenyl-bis[4-(2-piperidin-1-ylethoxy)phenyl]sulfanium is CCCN(CCC)CCCCCCCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1.CN(C)CCC(CCN(C)C)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.CN(C)COc1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=C(OC(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[O-])C12CC3CC(CC(C3)C1)C2.O=C(OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])C12CC3CC(CC(C3)C1)C2.O=C(OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])C12CC3CC(CC(C3)C1)C2.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C12CC3CC(CC(C3)C1)C2.c1ccc([S+](c2ccc(OCCN3CCCCC3)cc2)c2ccc(OCCN3CCCCC3)cc2)cc1.

What is the InChIKey of 4-(adamantane-1-carbonyloxy)-1,1,2,2,3,3,5,5,5-nonafluoropentane-1-sulfonate;bis(2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);3-(1-adamantyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;[4-[1,5-bis(dimethylamino)pentan-3-yl]phenyl]-diphenylsulfanium;[4-[(dimethylamino)methoxy]phenyl]-diphenylsulfanium;[4-[7-(dipropylamino)heptoxy]phenyl]-diphenylsulfanium;phenyl-bis[4-(2-piperidin-1-ylethoxy)phenyl]sulfanium?

The InChIKey is VTILHLSKFCYEAI-UHFFFAOYSA-J. The full InChI is InChI=1S/C32H41N2O2S.C31H42NOS.C27H35N2S.C21H22NOS.C16H17F9O5S.2C14H17F5O5S.C13H16F6O3S/c1-4-10-30(11-5-1)37(31-16-12-28(13-17-31)35-26-24-33-20-6-2-7-21-33)32-18-14-29(15-19-32)36-27-25-34-22-8-3-9-23-34;1-3-24-32(25-4-2)26-14-6-5-7-15-27-33-28-20-22-31(23-21-28)34(29-16-10-8-11-17-29)30-18-12-9-13-19-30;1-28(2)21-19-24(20-22-29(3)4)23-15-17-27(18-16-23)30(25-11-7-5-8-12-25)26-13-9-6-10-14-26;1-22(2)17-23-18-13-15-21(16-14-18)24(19-9-5-3-6-10-19)20-11-7-4-8-12-20;17-13(18,15(22,23)16(24,25)31(27,28)29)10(14(19,20)21)30-11(26)12-4-7-1-8(5-12)3-9(2-7)6-12;2*15-13(16,17)10(14(18,19)25(21,22)23)24-11(20)12-4-7-1-8(5-12)3-9(2-7)6-12;14-11(15,12(16,17)13(18,19)23(20,21)22)10-4-7-1-8(5-10)3-9(2-7)6-10/h1,4-5,10-19H,2-3,6-9,20-27H2;8-13,16-23H,3-7,14-15,24-27H2,1-2H3;5-18,24H,19-22H2,1-4H3;3-16H,17H2,1-2H3;7-10H,1-6H2,(H,27,28,29);2*7-10H,1-6H2,(H,21,22,23);7-9H,1-6H2,(H,20,21,22)/q4*+1;;;;/p-4.

What are the key properties of 4-(adamantane-1-carbonyloxy)-1,1,2,2,3,3,5,5,5-nonafluoropentane-1-sulfonate;bis(2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);3-(1-adamantyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;[4-[1,5-bis(dimethylamino)pentan-3-yl]phenyl]-diphenylsulfanium;[4-[(dimethylamino)methoxy]phenyl]-diphenylsulfanium;[4-[7-(dipropylamino)heptoxy]phenyl]-diphenylsulfanium;phenyl-bis[4-(2-piperidin-1-ylethoxy)phenyl]sulfanium?

4-(adamantane-1-carbonyloxy)-1,1,2,2,3,3,5,5,5-nonafluoropentane-1-sulfonate;bis(2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);3-(1-adamantyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;[4-[1,5-bis(dimethylamino)pentan-3-yl]phenyl]-diphenylsulfanium;[4-[(dimethylamino)methoxy]phenyl]-diphenylsulfanium;[4-[7-(dipropylamino)heptoxy]phenyl]-diphenylsulfanium;phenyl-bis[4-(2-piperidin-1-ylethoxy)phenyl]sulfanium has a molecular weight of 3389.98 g/mol, XLogP of 38.52, 61 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(adamantane-1-carbonyloxy)-1,1,2,2,3,3,5,5,5-nonafluoropentane-1-sulfonate;bis(2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);3-(1-adamantyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;[4-[1,5-bis(dimethylamino)pentan-3-yl]phenyl]-diphenylsulfanium;[4-[(dimethylamino)methoxy]phenyl]-diphenylsulfanium;[4-[7-(dipropylamino)heptoxy]phenyl]-diphenylsulfanium;phenyl-bis[4-(2-piperidin-1-ylethoxy)phenyl]sulfanium is sourced from PubChem (CID 161393870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).