disodium;bis(2-(adamantane-1-carbonyloxy)ethyl-methylsulfonylazanide);bis([4-[2-(1-ethylcyclopentyl)oxy-2-oxoethoxy]-3,5-dimethylphenyl]-diphenylsulfanium);(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;2-(methanesulfonamido)ethyl adamantane-1-carboxylate;(2-methyl-2-adamantyl) 2,2-dimethylbutanoate;(3-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;bromide;hydroxide

C158H226BrN3Na2O32S5 — CID 159109271

About disodium;bis(2-(adamantane-1-carbonyloxy)ethyl-methylsulfonylazanide);bis([4-[2-(1-ethylcyclopentyl)oxy-2-oxoethoxy]-3,5-dimethylphenyl]-diphenylsulfanium);(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;2-(methanesulfonamido)ethyl adamantane-1-carboxylate;(2-methyl-2-adamantyl) 2,2-dimethylbutanoate;(3-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;bromide;hydroxide

disodium;bis(2-(adamantane-1-carbonyloxy)ethyl-methylsulfonylazanide);bis([4-[2-(1-ethylcyclopentyl)oxy-2-oxoethoxy]-3,5-dimethylphenyl]-diphenylsulfanium);(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;2-(methanesulfonamido)ethyl adamantane-1-carboxylate;(2-methyl-2-adamantyl) 2,2-dimethylbutanoate;(3-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;bromide;hydroxide (PubChem CID 159109271) has the molecular formula C158H226BrN3Na2O32S5 and a molecular weight of 2965.75 g/mol. Its IUPAC name is disodium;bis(2-(adamantane-1-carbonyloxy)ethyl-methylsulfonylazanide);bis([4-[2-(1-ethylcyclopentyl)oxy-2-oxoethoxy]-3,5-dimethylphenyl]-diphenylsulfanium);(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;2-(methanesulfonamido)ethyl adamantane-1-carboxylate;(2-methyl-2-adamantyl) 2,2-dimethylbutanoate;(3-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;bromide;hydroxide.

Molecular Properties

• Compound Name: disodium;bis(2-(adamantane-1-carbonyloxy)ethyl-methylsulfonylazanide);bis([4-[2-(1-ethylcyclopentyl)oxy-2-oxoethoxy]-3,5-dimethylphenyl]-diphenylsulfanium);(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;2-(methanesulfonamido)ethyl adamantane-1-carboxylate;(2-methyl-2-adamantyl) 2,2-dimethylbutanoate;(3-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;bromide;hydroxide
• PubChem CID: 159109271
• Molecular Formula: C158H226BrN3Na2O32S5
• Molecular Weight: 2965.75 g/mol
• Exact Mass: 2962.37
• IUPAC Name: disodium;bis(2-(adamantane-1-carbonyloxy)ethyl-methylsulfonylazanide);bis([4-[2-(1-ethylcyclopentyl)oxy-2-oxoethoxy]-3,5-dimethylphenyl]-diphenylsulfanium);(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;2-(methanesulfonamido)ethyl adamantane-1-carboxylate;(2-methyl-2-adamantyl) 2,2-dimethylbutanoate;(3-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;bromide;hydroxide
• SMILES: CCC(C)(C)C(=O)OC1(C)C2CC3CC(C2)CC1C3.CCC(C)(C)C(=O)OC12CC3CC(CC(O)(C3)C1)C2.CCC(C)(C)C(=O)OC1CC2CC1C1COC(=O)C21.CCC(C)(C)C(=O)OC1CCOC1=O.CCC1(OC(=O)COc2c(C)cc([S+](c3ccccc3)c3ccccc3)cc2C)CCCC1.CCC1(OC(=O)COc2c(C)cc([S+](c3ccccc3)c3ccccc3)cc2C)CCCC1.CS(=O)(=O)NCCOC(=O)C12CC3CC(CC(C3)C1)C2.CS(=O)(=O)[N-]CCOC(=O)C12CC3CC(CC(C3)C1)C2.CS(=O)(=O)[N-]CCOC(=O)C12CC3CC(CC(C3)C1)C2.[Br-].[Na+].[Na+].[OH-]
• InChI: InChI=1S/2C29H33O3S.C17H28O2.C16H26O3.C15H22O4.C14H23NO4S.2C14H22NO4S.C10H16O4.BrH.2Na.H2O/c2*1-4-29(17-11-12-18-29)32-27(30)21-31-28-22(2)19-26(20-23(28)3)33(24-13-7-5-8-14-24)25-15-9-6-10-16-25;1-5-16(2,3)15(18)19-17(4)13-7-11-6-12(9-13)10-14(17)8-11;1-4-14(2,3)13(17)19-16-8-11-5-12(9-16)7-15(18,6-11)10-16;1-4-15(2,3)14(17)19-11-6-8-5-9(11)10-7-18-13(16)12(8)10;3*1-20(17,18)15-2-3-19-13(16)14-7-10-4-11(8-14)6-12(5-10)9-14;1-4-10(2,3)9(12)14-7-5-6-13-8(7)11;;;;/h2*5-10,13-16,19-20H,4,11-12,17-18,21H2,1-3H3;11-14H,5-10H2,1-4H3;11-12,18H,4-10H2,1-3H3;8-12H,4-7H2,1-3H3;10-12,15H,2-9H2,1H3;2*10-12H,2-9H2,1H3;7H,4-6H2,1-3H3;1H;;;1H2/q2*+1;;;;;2*-1;;;2*+1;/p-2
• InChIKey: CDZSWQIVEXOJCT-UHFFFAOYSA-L
• XLogP: 21.05
• TPSA: 500.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 32
• Rotatable Bonds: 43
• Heavy Atoms: 201
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2965.75
LogP ≤ 5	21.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	32

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'}

Frequently Asked Questions

What is the IUPAC name of disodium;bis(2-(adamantane-1-carbonyloxy)ethyl-methylsulfonylazanide);bis([4-[2-(1-ethylcyclopentyl)oxy-2-oxoethoxy]-3,5-dimethylphenyl]-diphenylsulfanium);(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;2-(methanesulfonamido)ethyl adamantane-1-carboxylate;(2-methyl-2-adamantyl) 2,2-dimethylbutanoate;(3-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;bromide;hydroxide?

The IUPAC name of disodium;bis(2-(adamantane-1-carbonyloxy)ethyl-methylsulfonylazanide);bis([4-[2-(1-ethylcyclopentyl)oxy-2-oxoethoxy]-3,5-dimethylphenyl]-diphenylsulfanium);(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;2-(methanesulfonamido)ethyl adamantane-1-carboxylate;(2-methyl-2-adamantyl) 2,2-dimethylbutanoate;(3-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;bromide;hydroxide (CID 159109271) is disodium;bis(2-(adamantane-1-carbonyloxy)ethyl-methylsulfonylazanide);bis([4-[2-(1-ethylcyclopentyl)oxy-2-oxoethoxy]-3,5-dimethylphenyl]-diphenylsulfanium);(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;2-(methanesulfonamido)ethyl adamantane-1-carboxylate;(2-methyl-2-adamantyl) 2,2-dimethylbutanoate;(3-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;bromide;hydroxide.

What is the SMILES notation for disodium;bis(2-(adamantane-1-carbonyloxy)ethyl-methylsulfonylazanide);bis([4-[2-(1-ethylcyclopentyl)oxy-2-oxoethoxy]-3,5-dimethylphenyl]-diphenylsulfanium);(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;2-(methanesulfonamido)ethyl adamantane-1-carboxylate;(2-methyl-2-adamantyl) 2,2-dimethylbutanoate;(3-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;bromide;hydroxide?

The canonical SMILES for disodium;bis(2-(adamantane-1-carbonyloxy)ethyl-methylsulfonylazanide);bis([4-[2-(1-ethylcyclopentyl)oxy-2-oxoethoxy]-3,5-dimethylphenyl]-diphenylsulfanium);(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;2-(methanesulfonamido)ethyl adamantane-1-carboxylate;(2-methyl-2-adamantyl) 2,2-dimethylbutanoate;(3-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;bromide;hydroxide is CCC(C)(C)C(=O)OC1(C)C2CC3CC(C2)CC1C3.CCC(C)(C)C(=O)OC12CC3CC(CC(O)(C3)C1)C2.CCC(C)(C)C(=O)OC1CC2CC1C1COC(=O)C21.CCC(C)(C)C(=O)OC1CCOC1=O.CCC1(OC(=O)COc2c(C)cc([S+](c3ccccc3)c3ccccc3)cc2C)CCCC1.CCC1(OC(=O)COc2c(C)cc([S+](c3ccccc3)c3ccccc3)cc2C)CCCC1.CS(=O)(=O)NCCOC(=O)C12CC3CC(CC(C3)C1)C2.CS(=O)(=O)[N-]CCOC(=O)C12CC3CC(CC(C3)C1)C2.CS(=O)(=O)[N-]CCOC(=O)C12CC3CC(CC(C3)C1)C2.[Br-].[Na+].[Na+].[OH-].

What is the InChIKey of disodium;bis(2-(adamantane-1-carbonyloxy)ethyl-methylsulfonylazanide);bis([4-[2-(1-ethylcyclopentyl)oxy-2-oxoethoxy]-3,5-dimethylphenyl]-diphenylsulfanium);(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;2-(methanesulfonamido)ethyl adamantane-1-carboxylate;(2-methyl-2-adamantyl) 2,2-dimethylbutanoate;(3-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;bromide;hydroxide?

The InChIKey is CDZSWQIVEXOJCT-UHFFFAOYSA-L. The full InChI is InChI=1S/2C29H33O3S.C17H28O2.C16H26O3.C15H22O4.C14H23NO4S.2C14H22NO4S.C10H16O4.BrH.2Na.H2O/c2*1-4-29(17-11-12-18-29)32-27(30)21-31-28-22(2)19-26(20-23(28)3)33(24-13-7-5-8-14-24)25-15-9-6-10-16-25;1-5-16(2,3)15(18)19-17(4)13-7-11-6-12(9-13)10-14(17)8-11;1-4-14(2,3)13(17)19-16-8-11-5-12(9-16)7-15(18,6-11)10-16;1-4-15(2,3)14(17)19-11-6-8-5-9(11)10-7-18-13(16)12(8)10;3*1-20(17,18)15-2-3-19-13(16)14-7-10-4-11(8-14)6-12(5-10)9-14;1-4-10(2,3)9(12)14-7-5-6-13-8(7)11;;;;/h2*5-10,13-16,19-20H,4,11-12,17-18,21H2,1-3H3;11-14H,5-10H2,1-4H3;11-12,18H,4-10H2,1-3H3;8-12H,4-7H2,1-3H3;10-12,15H,2-9H2,1H3;2*10-12H,2-9H2,1H3;7H,4-6H2,1-3H3;1H;;;1H2/q2*+1;;;;;2*-1;;;2*+1;/p-2.

What are the key properties of disodium;bis(2-(adamantane-1-carbonyloxy)ethyl-methylsulfonylazanide);bis([4-[2-(1-ethylcyclopentyl)oxy-2-oxoethoxy]-3,5-dimethylphenyl]-diphenylsulfanium);(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;2-(methanesulfonamido)ethyl adamantane-1-carboxylate;(2-methyl-2-adamantyl) 2,2-dimethylbutanoate;(3-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;bromide;hydroxide?

disodium;bis(2-(adamantane-1-carbonyloxy)ethyl-methylsulfonylazanide);bis([4-[2-(1-ethylcyclopentyl)oxy-2-oxoethoxy]-3,5-dimethylphenyl]-diphenylsulfanium);(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;2-(methanesulfonamido)ethyl adamantane-1-carboxylate;(2-methyl-2-adamantyl) 2,2-dimethylbutanoate;(3-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;bromide;hydroxide has a molecular weight of 2965.75 g/mol, XLogP of 21.05, 43 rotatable bonds, 2 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for disodium;bis(2-(adamantane-1-carbonyloxy)ethyl-methylsulfonylazanide);bis([4-[2-(1-ethylcyclopentyl)oxy-2-oxoethoxy]-3,5-dimethylphenyl]-diphenylsulfanium);(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;2-(methanesulfonamido)ethyl adamantane-1-carboxylate;(2-methyl-2-adamantyl) 2,2-dimethylbutanoate;(3-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;bromide;hydroxide is sourced from PubChem (CID 159109271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).