1-adamantylmethyl 1-(2-fluoropropanoyl)piperidine-4-carboxylate;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]-1,4-dithian-1-ium;[2-(cyclohexylmethoxy)-2-oxoethyl]-diphenylsulfanium;N,N-dicyclohexyl-2-fluoropropanamide;1-(2,6-dimethylpiperidin-1-yl)-2-fluoropropan-1-one;1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-fluoropropan-1-one;4-fluoro-1-(oxolan-2-yl)pentan-3-one;[1-(2-fluoropropanoyl)piperidin-4-yl]methyl adamantane-1-carboxylate;methane;1-(4-methoxynaphthalen-1-yl)thiolan-1-ium;(3-methylphenyl)-diphenylsulfanium;bis(triphenylsulfanium)

C194H251F6N5O17S8+6 — CID 160668556

About 1-adamantylmethyl 1-(2-fluoropropanoyl)piperidine-4-carboxylate;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]-1,4-dithian-1-ium;[2-(cyclohexylmethoxy)-2-oxoethyl]-diphenylsulfanium;N,N-dicyclohexyl-2-fluoropropanamide;1-(2,6-dimethylpiperidin-1-yl)-2-fluoropropan-1-one;1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-fluoropropan-1-one;4-fluoro-1-(oxolan-2-yl)pentan-3-one;[1-(2-fluoropropanoyl)piperidin-4-yl]methyl adamantane-1-carboxylate;methane;1-(4-methoxynaphthalen-1-yl)thiolan-1-ium;(3-methylphenyl)-diphenylsulfanium;bis(triphenylsulfanium)

1-adamantylmethyl 1-(2-fluoropropanoyl)piperidine-4-carboxylate;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]-1,4-dithian-1-ium;[2-(cyclohexylmethoxy)-2-oxoethyl]-diphenylsulfanium;N,N-dicyclohexyl-2-fluoropropanamide;1-(2,6-dimethylpiperidin-1-yl)-2-fluoropropan-1-one;1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-fluoropropan-1-one;4-fluoro-1-(oxolan-2-yl)pentan-3-one;[1-(2-fluoropropanoyl)piperidin-4-yl]methyl adamantane-1-carboxylate;methane;1-(4-methoxynaphthalen-1-yl)thiolan-1-ium;(3-methylphenyl)-diphenylsulfanium;bis(triphenylsulfanium) (PubChem CID 160668556) has the molecular formula C194H251F6N5O17S8+6 and a molecular weight of 3295.68 g/mol. Its IUPAC name is 1-adamantylmethyl 1-(2-fluoropropanoyl)piperidine-4-carboxylate;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]-1,4-dithian-1-ium;[2-(cyclohexylmethoxy)-2-oxoethyl]-diphenylsulfanium;N,N-dicyclohexyl-2-fluoropropanamide;1-(2,6-dimethylpiperidin-1-yl)-2-fluoropropan-1-one;1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-fluoropropan-1-one;4-fluoro-1-(oxolan-2-yl)pentan-3-one;[1-(2-fluoropropanoyl)piperidin-4-yl]methyl adamantane-1-carboxylate;methane;1-(4-methoxynaphthalen-1-yl)thiolan-1-ium;(3-methylphenyl)-diphenylsulfanium;bis(triphenylsulfanium).

Molecular Properties

• Compound Name: 1-adamantylmethyl 1-(2-fluoropropanoyl)piperidine-4-carboxylate;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]-1,4-dithian-1-ium;[2-(cyclohexylmethoxy)-2-oxoethyl]-diphenylsulfanium;N,N-dicyclohexyl-2-fluoropropanamide;1-(2,6-dimethylpiperidin-1-yl)-2-fluoropropan-1-one;1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-fluoropropan-1-one;4-fluoro-1-(oxolan-2-yl)pentan-3-one;[1-(2-fluoropropanoyl)piperidin-4-yl]methyl adamantane-1-carboxylate;methane;1-(4-methoxynaphthalen-1-yl)thiolan-1-ium;(3-methylphenyl)-diphenylsulfanium;bis(triphenylsulfanium)
• PubChem CID: 160668556
• Molecular Formula: C194H251F6N5O17S8+6
• Molecular Weight: 3295.68 g/mol
• Exact Mass: 3292.66
• IUPAC Name: 1-adamantylmethyl 1-(2-fluoropropanoyl)piperidine-4-carboxylate;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]-1,4-dithian-1-ium;[2-(cyclohexylmethoxy)-2-oxoethyl]-diphenylsulfanium;N,N-dicyclohexyl-2-fluoropropanamide;1-(2,6-dimethylpiperidin-1-yl)-2-fluoropropan-1-one;1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-fluoropropan-1-one;4-fluoro-1-(oxolan-2-yl)pentan-3-one;[1-(2-fluoropropanoyl)piperidin-4-yl]methyl adamantane-1-carboxylate;methane;1-(4-methoxynaphthalen-1-yl)thiolan-1-ium;(3-methylphenyl)-diphenylsulfanium;bis(triphenylsulfanium)
• SMILES: C.CC(F)C(=O)CCC1CCCO1.CC(F)C(=O)N(C1CCCCC1)C1CCCCC1.CC(F)C(=O)N1C(C)CCCC1C.CC(F)C(=O)N1CCC(C(=O)OCC23CC4CC(CC(C4)C2)C3)CC1.CC(F)C(=O)N1CCC(COC(=O)C23CC4CC(CC(C4)C2)C3)CC1.CC(F)C(=O)N1CCS(=O)(=O)CC1.COc1ccc([S+]2CCCC2)c2ccccc12.Cc1cccc([S+](c2ccccc2)c2ccccc2)c1.O=C(C[S+](c1ccccc1)c1ccccc1)OCC1CCCCC1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc2c([S+]3CCSCC3)ccc(OCC3CCCCC3)c2c1
• InChI: InChI=1S/C21H25O2S.C21H27OS2.2C20H30FNO3.C19H17S.2C18H15S.C15H26FNO.C15H17OS.C10H18FNO.C9H15FO2.C7H12FNO3S.CH4/c22-21(23-16-18-10-4-1-5-11-18)17-24(19-12-6-2-7-13-19)20-14-8-3-9-15-20;1-2-6-17(7-3-1)16-22-20-10-11-21(24-14-12-23-13-15-24)19-9-5-4-8-18(19)20;1-13(21)18(23)22-4-2-17(3-5-22)19(24)25-12-20-9-14-6-15(10-20)8-16(7-14)11-20;1-13(21)18(23)22-4-2-14(3-5-22)12-25-19(24)20-9-15-6-16(10-20)8-17(7-15)11-20;1-16-9-8-14-19(15-16)20(17-10-4-2-5-11-17)18-12-6-3-7-13-18;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-12(16)15(18)17(13-8-4-2-5-9-13)14-10-6-3-7-11-14;1-16-14-8-9-15(17-10-4-5-11-17)13-7-3-2-6-12(13)14;1-7-5-4-6-8(2)12(7)10(13)9(3)11;1-7(10)9(11)5-4-8-3-2-6-12-8;1-6(8)7(10)9-2-4-13(11,12)5-3-9;/h2-3,6-9,12-15,18H,1,4-5,10-11,16-17H2;4-5,8-11,17H,1-3,6-7,12-16H2;2*13-17H,2-12H2,1H3;2-15H,1H3;2*1-15H;12-14H,2-11H2,1H3;2-3,6-9H,4-5,10-11H2,1H3;7-9H,4-6H2,1-3H3;7-8H,2-6H2,1H3;6H,2-5H2,1H3;1H4/q2*+1;;;3*+1;;+1
• InChIKey: RMQAMFJPZGMCDZ-UHFFFAOYSA-N
• XLogP: 43.41
• TPSA: 259.35 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 38
• Heavy Atoms: 230
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3295.68
LogP ≤ 5	43.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-adamantylmethyl 1-(2-fluoropropanoyl)piperidine-4-carboxylate;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]-1,4-dithian-1-ium;[2-(cyclohexylmethoxy)-2-oxoethyl]-diphenylsulfanium;N,N-dicyclohexyl-2-fluoropropanamide;1-(2,6-dimethylpiperidin-1-yl)-2-fluoropropan-1-one;1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-fluoropropan-1-one;4-fluoro-1-(oxolan-2-yl)pentan-3-one;[1-(2-fluoropropanoyl)piperidin-4-yl]methyl adamantane-1-carboxylate;methane;1-(4-methoxynaphthalen-1-yl)thiolan-1-ium;(3-methylphenyl)-diphenylsulfanium;bis(triphenylsulfanium)?

The IUPAC name of 1-adamantylmethyl 1-(2-fluoropropanoyl)piperidine-4-carboxylate;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]-1,4-dithian-1-ium;[2-(cyclohexylmethoxy)-2-oxoethyl]-diphenylsulfanium;N,N-dicyclohexyl-2-fluoropropanamide;1-(2,6-dimethylpiperidin-1-yl)-2-fluoropropan-1-one;1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-fluoropropan-1-one;4-fluoro-1-(oxolan-2-yl)pentan-3-one;[1-(2-fluoropropanoyl)piperidin-4-yl]methyl adamantane-1-carboxylate;methane;1-(4-methoxynaphthalen-1-yl)thiolan-1-ium;(3-methylphenyl)-diphenylsulfanium;bis(triphenylsulfanium) (CID 160668556) is 1-adamantylmethyl 1-(2-fluoropropanoyl)piperidine-4-carboxylate;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]-1,4-dithian-1-ium;[2-(cyclohexylmethoxy)-2-oxoethyl]-diphenylsulfanium;N,N-dicyclohexyl-2-fluoropropanamide;1-(2,6-dimethylpiperidin-1-yl)-2-fluoropropan-1-one;1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-fluoropropan-1-one;4-fluoro-1-(oxolan-2-yl)pentan-3-one;[1-(2-fluoropropanoyl)piperidin-4-yl]methyl adamantane-1-carboxylate;methane;1-(4-methoxynaphthalen-1-yl)thiolan-1-ium;(3-methylphenyl)-diphenylsulfanium;bis(triphenylsulfanium).

What is the SMILES notation for 1-adamantylmethyl 1-(2-fluoropropanoyl)piperidine-4-carboxylate;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]-1,4-dithian-1-ium;[2-(cyclohexylmethoxy)-2-oxoethyl]-diphenylsulfanium;N,N-dicyclohexyl-2-fluoropropanamide;1-(2,6-dimethylpiperidin-1-yl)-2-fluoropropan-1-one;1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-fluoropropan-1-one;4-fluoro-1-(oxolan-2-yl)pentan-3-one;[1-(2-fluoropropanoyl)piperidin-4-yl]methyl adamantane-1-carboxylate;methane;1-(4-methoxynaphthalen-1-yl)thiolan-1-ium;(3-methylphenyl)-diphenylsulfanium;bis(triphenylsulfanium)?

The canonical SMILES for 1-adamantylmethyl 1-(2-fluoropropanoyl)piperidine-4-carboxylate;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]-1,4-dithian-1-ium;[2-(cyclohexylmethoxy)-2-oxoethyl]-diphenylsulfanium;N,N-dicyclohexyl-2-fluoropropanamide;1-(2,6-dimethylpiperidin-1-yl)-2-fluoropropan-1-one;1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-fluoropropan-1-one;4-fluoro-1-(oxolan-2-yl)pentan-3-one;[1-(2-fluoropropanoyl)piperidin-4-yl]methyl adamantane-1-carboxylate;methane;1-(4-methoxynaphthalen-1-yl)thiolan-1-ium;(3-methylphenyl)-diphenylsulfanium;bis(triphenylsulfanium) is C.CC(F)C(=O)CCC1CCCO1.CC(F)C(=O)N(C1CCCCC1)C1CCCCC1.CC(F)C(=O)N1C(C)CCCC1C.CC(F)C(=O)N1CCC(C(=O)OCC23CC4CC(CC(C4)C2)C3)CC1.CC(F)C(=O)N1CCC(COC(=O)C23CC4CC(CC(C4)C2)C3)CC1.CC(F)C(=O)N1CCS(=O)(=O)CC1.COc1ccc([S+]2CCCC2)c2ccccc12.Cc1cccc([S+](c2ccccc2)c2ccccc2)c1.O=C(C[S+](c1ccccc1)c1ccccc1)OCC1CCCCC1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc2c([S+]3CCSCC3)ccc(OCC3CCCCC3)c2c1.

What is the InChIKey of 1-adamantylmethyl 1-(2-fluoropropanoyl)piperidine-4-carboxylate;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]-1,4-dithian-1-ium;[2-(cyclohexylmethoxy)-2-oxoethyl]-diphenylsulfanium;N,N-dicyclohexyl-2-fluoropropanamide;1-(2,6-dimethylpiperidin-1-yl)-2-fluoropropan-1-one;1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-fluoropropan-1-one;4-fluoro-1-(oxolan-2-yl)pentan-3-one;[1-(2-fluoropropanoyl)piperidin-4-yl]methyl adamantane-1-carboxylate;methane;1-(4-methoxynaphthalen-1-yl)thiolan-1-ium;(3-methylphenyl)-diphenylsulfanium;bis(triphenylsulfanium)?

The InChIKey is RMQAMFJPZGMCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25O2S.C21H27OS2.2C20H30FNO3.C19H17S.2C18H15S.C15H26FNO.C15H17OS.C10H18FNO.C9H15FO2.C7H12FNO3S.CH4/c22-21(23-16-18-10-4-1-5-11-18)17-24(19-12-6-2-7-13-19)20-14-8-3-9-15-20;1-2-6-17(7-3-1)16-22-20-10-11-21(24-14-12-23-13-15-24)19-9-5-4-8-18(19)20;1-13(21)18(23)22-4-2-17(3-5-22)19(24)25-12-20-9-14-6-15(10-20)8-16(7-14)11-20;1-13(21)18(23)22-4-2-14(3-5-22)12-25-19(24)20-9-15-6-16(10-20)8-17(7-15)11-20;1-16-9-8-14-19(15-16)20(17-10-4-2-5-11-17)18-12-6-3-7-13-18;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-12(16)15(18)17(13-8-4-2-5-9-13)14-10-6-3-7-11-14;1-16-14-8-9-15(17-10-4-5-11-17)13-7-3-2-6-12(13)14;1-7-5-4-6-8(2)12(7)10(13)9(3)11;1-7(10)9(11)5-4-8-3-2-6-12-8;1-6(8)7(10)9-2-4-13(11,12)5-3-9;/h2-3,6-9,12-15,18H,1,4-5,10-11,16-17H2;4-5,8-11,17H,1-3,6-7,12-16H2;2*13-17H,2-12H2,1H3;2-15H,1H3;2*1-15H;12-14H,2-11H2,1H3;2-3,6-9H,4-5,10-11H2,1H3;7-9H,4-6H2,1-3H3;7-8H,2-6H2,1H3;6H,2-5H2,1H3;1H4/q2*+1;;;3*+1;;+1;;;;.

What are the key properties of 1-adamantylmethyl 1-(2-fluoropropanoyl)piperidine-4-carboxylate;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]-1,4-dithian-1-ium;[2-(cyclohexylmethoxy)-2-oxoethyl]-diphenylsulfanium;N,N-dicyclohexyl-2-fluoropropanamide;1-(2,6-dimethylpiperidin-1-yl)-2-fluoropropan-1-one;1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-fluoropropan-1-one;4-fluoro-1-(oxolan-2-yl)pentan-3-one;[1-(2-fluoropropanoyl)piperidin-4-yl]methyl adamantane-1-carboxylate;methane;1-(4-methoxynaphthalen-1-yl)thiolan-1-ium;(3-methylphenyl)-diphenylsulfanium;bis(triphenylsulfanium)?

1-adamantylmethyl 1-(2-fluoropropanoyl)piperidine-4-carboxylate;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]-1,4-dithian-1-ium;[2-(cyclohexylmethoxy)-2-oxoethyl]-diphenylsulfanium;N,N-dicyclohexyl-2-fluoropropanamide;1-(2,6-dimethylpiperidin-1-yl)-2-fluoropropan-1-one;1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-fluoropropan-1-one;4-fluoro-1-(oxolan-2-yl)pentan-3-one;[1-(2-fluoropropanoyl)piperidin-4-yl]methyl adamantane-1-carboxylate;methane;1-(4-methoxynaphthalen-1-yl)thiolan-1-ium;(3-methylphenyl)-diphenylsulfanium;bis(triphenylsulfanium) has a molecular weight of 3295.68 g/mol, XLogP of 43.41, 38 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 1-adamantylmethyl 1-(2-fluoropropanoyl)piperidine-4-carboxylate;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]-1,4-dithian-1-ium;[2-(cyclohexylmethoxy)-2-oxoethyl]-diphenylsulfanium;N,N-dicyclohexyl-2-fluoropropanamide;1-(2,6-dimethylpiperidin-1-yl)-2-fluoropropan-1-one;1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-fluoropropan-1-one;4-fluoro-1-(oxolan-2-yl)pentan-3-one;[1-(2-fluoropropanoyl)piperidin-4-yl]methyl adamantane-1-carboxylate;methane;1-(4-methoxynaphthalen-1-yl)thiolan-1-ium;(3-methylphenyl)-diphenylsulfanium;bis(triphenylsulfanium) is sourced from PubChem (CID 160668556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).