5,6-dimethyl-N-methylsulfonylbicyclo[2.2.1]heptane-2-carboxamide;(4,4-dimethyl-2-oxooxolan-3-yl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(2-ethyl-2-adamantyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(2-methyl-2-adamantyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;2-(4-methyl-2-oxocyclohexyl)propan-2-yl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate

C108H165NO18S — CID 162156489

About 5,6-dimethyl-N-methylsulfonylbicyclo[2.2.1]heptane-2-carboxamide;(4,4-dimethyl-2-oxooxolan-3-yl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(2-ethyl-2-adamantyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(2-methyl-2-adamantyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;2-(4-methyl-2-oxocyclohexyl)propan-2-yl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate

5,6-dimethyl-N-methylsulfonylbicyclo[2.2.1]heptane-2-carboxamide;(4,4-dimethyl-2-oxooxolan-3-yl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(2-ethyl-2-adamantyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(2-methyl-2-adamantyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;2-(4-methyl-2-oxocyclohexyl)propan-2-yl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate (PubChem CID 162156489) has the molecular formula C108H165NO18S and a molecular weight of 1797.56 g/mol. Its IUPAC name is 5,6-dimethyl-N-methylsulfonylbicyclo[2.2.1]heptane-2-carboxamide;(4,4-dimethyl-2-oxooxolan-3-yl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(2-ethyl-2-adamantyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(2-methyl-2-adamantyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;2-(4-methyl-2-oxocyclohexyl)propan-2-yl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate.

Molecular Properties

• Compound Name: 5,6-dimethyl-N-methylsulfonylbicyclo[2.2.1]heptane-2-carboxamide;(4,4-dimethyl-2-oxooxolan-3-yl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(2-ethyl-2-adamantyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(2-methyl-2-adamantyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;2-(4-methyl-2-oxocyclohexyl)propan-2-yl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate
• PubChem CID: 162156489
• Molecular Formula: C108H165NO18S
• Molecular Weight: 1797.56 g/mol
• Exact Mass: 1796.17
• IUPAC Name: 5,6-dimethyl-N-methylsulfonylbicyclo[2.2.1]heptane-2-carboxamide;(4,4-dimethyl-2-oxooxolan-3-yl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(2-ethyl-2-adamantyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(2-methyl-2-adamantyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;2-(4-methyl-2-oxocyclohexyl)propan-2-yl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate
• SMILES: CC1C2CC(C(=O)NS(C)(=O)=O)C(C2)C1C.CC1C2CC(C(=O)OC3(C)C4CC5CC(C4)CC3C5)C(C2)C1C.CC1C2CC(C(=O)OC3C(=O)OCC3(C)C)C(C2)C1C.CC1C2CC(C(=O)OC3C4CC5C(=O)OC3C5C4)C(C2)C1C.CC1CCC(C(C)(C)OC(=O)C2CC3CC2C(C)C3C)C(=O)C1.CCC1(OC(=O)C2CC3CC2C(C)C3C)C2CC3CC(C2)CC1C3
• InChI: InChI=1S/C22H34O2.C21H32O2.C20H32O3.C18H24O4.C16H24O4.C11H19NO3S/c1-4-22(17-6-14-5-15(8-17)9-18(22)7-14)24-21(23)20-11-16-10-19(20)13(3)12(16)2;1-11-12(2)18-9-15(11)10-19(18)20(22)23-21(3)16-5-13-4-14(7-16)8-17(21)6-13;1-11-6-7-17(18(21)8-11)20(4,5)23-19(22)16-10-14-9-15(16)13(3)12(14)2;1-7-8(2)11-3-9(7)4-13(11)17(19)21-15-10-5-12-14(6-10)18(20)22-16(12)15;1-8-9(2)11-5-10(8)6-12(11)14(17)20-13-15(18)19-7-16(13,3)4;1-6-7(2)9-4-8(6)5-10(9)11(13)12-16(3,14)15/h12-20H,4-11H2,1-3H3;11-19H,4-10H2,1-3H3;11-17H,6-10H2,1-5H3;7-16H,3-6H2,1-2H3;8-13H,5-7H2,1-4H3;6-10H,4-5H2,1-3H3,(H,12,13)
• InChIKey: ZLWZFVALKJYHGO-UHFFFAOYSA-N
• XLogP: 19.78
• TPSA: 264.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 18
• Rotatable Bonds: 14
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1797.56
LogP ≤ 5	19.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-N-methylsulfonylbicyclo[2.2.1]heptane-2-carboxamide;(4,4-dimethyl-2-oxooxolan-3-yl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(2-ethyl-2-adamantyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(2-methyl-2-adamantyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;2-(4-methyl-2-oxocyclohexyl)propan-2-yl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate?

The IUPAC name of 5,6-dimethyl-N-methylsulfonylbicyclo[2.2.1]heptane-2-carboxamide;(4,4-dimethyl-2-oxooxolan-3-yl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(2-ethyl-2-adamantyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(2-methyl-2-adamantyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;2-(4-methyl-2-oxocyclohexyl)propan-2-yl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate (CID 162156489) is 5,6-dimethyl-N-methylsulfonylbicyclo[2.2.1]heptane-2-carboxamide;(4,4-dimethyl-2-oxooxolan-3-yl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(2-ethyl-2-adamantyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(2-methyl-2-adamantyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;2-(4-methyl-2-oxocyclohexyl)propan-2-yl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate.

What is the SMILES notation for 5,6-dimethyl-N-methylsulfonylbicyclo[2.2.1]heptane-2-carboxamide;(4,4-dimethyl-2-oxooxolan-3-yl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(2-ethyl-2-adamantyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(2-methyl-2-adamantyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;2-(4-methyl-2-oxocyclohexyl)propan-2-yl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate?

The canonical SMILES for 5,6-dimethyl-N-methylsulfonylbicyclo[2.2.1]heptane-2-carboxamide;(4,4-dimethyl-2-oxooxolan-3-yl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(2-ethyl-2-adamantyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(2-methyl-2-adamantyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;2-(4-methyl-2-oxocyclohexyl)propan-2-yl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate is CC1C2CC(C(=O)NS(C)(=O)=O)C(C2)C1C.CC1C2CC(C(=O)OC3(C)C4CC5CC(C4)CC3C5)C(C2)C1C.CC1C2CC(C(=O)OC3C(=O)OCC3(C)C)C(C2)C1C.CC1C2CC(C(=O)OC3C4CC5C(=O)OC3C5C4)C(C2)C1C.CC1CCC(C(C)(C)OC(=O)C2CC3CC2C(C)C3C)C(=O)C1.CCC1(OC(=O)C2CC3CC2C(C)C3C)C2CC3CC(C2)CC1C3.

What is the InChIKey of 5,6-dimethyl-N-methylsulfonylbicyclo[2.2.1]heptane-2-carboxamide;(4,4-dimethyl-2-oxooxolan-3-yl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(2-ethyl-2-adamantyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(2-methyl-2-adamantyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;2-(4-methyl-2-oxocyclohexyl)propan-2-yl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate?

The InChIKey is ZLWZFVALKJYHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34O2.C21H32O2.C20H32O3.C18H24O4.C16H24O4.C11H19NO3S/c1-4-22(17-6-14-5-15(8-17)9-18(22)7-14)24-21(23)20-11-16-10-19(20)13(3)12(16)2;1-11-12(2)18-9-15(11)10-19(18)20(22)23-21(3)16-5-13-4-14(7-16)8-17(21)6-13;1-11-6-7-17(18(21)8-11)20(4,5)23-19(22)16-10-14-9-15(16)13(3)12(14)2;1-7-8(2)11-3-9(7)4-13(11)17(19)21-15-10-5-12-14(6-10)18(20)22-16(12)15;1-8-9(2)11-5-10(8)6-12(11)14(17)20-13-15(18)19-7-16(13,3)4;1-6-7(2)9-4-8(6)5-10(9)11(13)12-16(3,14)15/h12-20H,4-11H2,1-3H3;11-19H,4-10H2,1-3H3;11-17H,6-10H2,1-5H3;7-16H,3-6H2,1-2H3;8-13H,5-7H2,1-4H3;6-10H,4-5H2,1-3H3,(H,12,13).

What are the key properties of 5,6-dimethyl-N-methylsulfonylbicyclo[2.2.1]heptane-2-carboxamide;(4,4-dimethyl-2-oxooxolan-3-yl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(2-ethyl-2-adamantyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(2-methyl-2-adamantyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;2-(4-methyl-2-oxocyclohexyl)propan-2-yl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate?

5,6-dimethyl-N-methylsulfonylbicyclo[2.2.1]heptane-2-carboxamide;(4,4-dimethyl-2-oxooxolan-3-yl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(2-ethyl-2-adamantyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(2-methyl-2-adamantyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;2-(4-methyl-2-oxocyclohexyl)propan-2-yl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate has a molecular weight of 1797.56 g/mol, XLogP of 19.78, 14 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 5,6-dimethyl-N-methylsulfonylbicyclo[2.2.1]heptane-2-carboxamide;(4,4-dimethyl-2-oxooxolan-3-yl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(2-ethyl-2-adamantyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(2-methyl-2-adamantyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;2-(4-methyl-2-oxocyclohexyl)propan-2-yl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate is sourced from PubChem (CID 162156489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).