N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1,1-trifluoromethanesulfonamide;tert-butyl bicyclo[2.2.1]hept-5-ene-2-carboxylate;tert-butyl 6-methyl-5-[3-methyl-6-[(trifluoromethylsulfonylamino)methyl]-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane-2-carboxylate;methane

C49H86F6N2O8S2 — CID 159845507

About N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1,1-trifluoromethanesulfonamide;tert-butyl bicyclo[2.2.1]hept-5-ene-2-carboxylate;tert-butyl 6-methyl-5-[3-methyl-6-[(trifluoromethylsulfonylamino)methyl]-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane-2-carboxylate;methane

N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1,1-trifluoromethanesulfonamide;tert-butyl bicyclo[2.2.1]hept-5-ene-2-carboxylate;tert-butyl 6-methyl-5-[3-methyl-6-[(trifluoromethylsulfonylamino)methyl]-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane-2-carboxylate;methane (PubChem CID 159845507) has the molecular formula C49H86F6N2O8S2 and a molecular weight of 1009.35 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1,1-trifluoromethanesulfonamide;tert-butyl bicyclo[2.2.1]hept-5-ene-2-carboxylate;tert-butyl 6-methyl-5-[3-methyl-6-[(trifluoromethylsulfonylamino)methyl]-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane-2-carboxylate;methane.

Molecular Properties

• Compound Name: N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1,1-trifluoromethanesulfonamide;tert-butyl bicyclo[2.2.1]hept-5-ene-2-carboxylate;tert-butyl 6-methyl-5-[3-methyl-6-[(trifluoromethylsulfonylamino)methyl]-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane-2-carboxylate;methane
• PubChem CID: 159845507
• Molecular Formula: C49H86F6N2O8S2
• Molecular Weight: 1009.35 g/mol
• Exact Mass: 1008.57
• IUPAC Name: N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1,1-trifluoromethanesulfonamide;tert-butyl bicyclo[2.2.1]hept-5-ene-2-carboxylate;tert-butyl 6-methyl-5-[3-methyl-6-[(trifluoromethylsulfonylamino)methyl]-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane-2-carboxylate;methane
• SMILES: C.C.C.C.C.CC(C)(C)OC(=O)C1CC2C=CC1C2.CC1C2CC(CC2C(=O)OC(C)(C)C)C1C1C(C)C2CC(CNS(=O)(=O)C(F)(F)F)C1C2.O=S(=O)(NCC1CC2C=CC1C2)C(F)(F)F
• InChI: InChI=1S/C23H36F3NO4S.C12H18O2.C9H12F3NO2S.5CH4/c1-11-13-6-15(10-27-32(29,30)23(24,25)26)17(7-13)20(11)19-12(2)16-8-14(19)9-18(16)21(28)31-22(3,4)5;1-12(2,3)14-11(13)10-7-8-4-5-9(10)6-8;10-9(11,12)16(14,15)13-5-8-4-6-1-2-7(8)3-6;;;;;/h11-20,27H,6-10H2,1-5H3;4-5,8-10H,6-7H2,1-3H3;1-2,6-8,13H,3-5H2;5*1H4
• InChIKey: NPFXVWLRJGOWEA-UHFFFAOYSA-N
• XLogP: 11.94
• TPSA: 144.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1009.35
LogP ≤ 5	11.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1,1-trifluoromethanesulfonamide;tert-butyl bicyclo[2.2.1]hept-5-ene-2-carboxylate;tert-butyl 6-methyl-5-[3-methyl-6-[(trifluoromethylsulfonylamino)methyl]-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane-2-carboxylate;methane?

The IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1,1-trifluoromethanesulfonamide;tert-butyl bicyclo[2.2.1]hept-5-ene-2-carboxylate;tert-butyl 6-methyl-5-[3-methyl-6-[(trifluoromethylsulfonylamino)methyl]-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane-2-carboxylate;methane (CID 159845507) is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1,1-trifluoromethanesulfonamide;tert-butyl bicyclo[2.2.1]hept-5-ene-2-carboxylate;tert-butyl 6-methyl-5-[3-methyl-6-[(trifluoromethylsulfonylamino)methyl]-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane-2-carboxylate;methane.

What is the SMILES notation for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1,1-trifluoromethanesulfonamide;tert-butyl bicyclo[2.2.1]hept-5-ene-2-carboxylate;tert-butyl 6-methyl-5-[3-methyl-6-[(trifluoromethylsulfonylamino)methyl]-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane-2-carboxylate;methane?

The canonical SMILES for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1,1-trifluoromethanesulfonamide;tert-butyl bicyclo[2.2.1]hept-5-ene-2-carboxylate;tert-butyl 6-methyl-5-[3-methyl-6-[(trifluoromethylsulfonylamino)methyl]-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane-2-carboxylate;methane is C.C.C.C.C.CC(C)(C)OC(=O)C1CC2C=CC1C2.CC1C2CC(CC2C(=O)OC(C)(C)C)C1C1C(C)C2CC(CNS(=O)(=O)C(F)(F)F)C1C2.O=S(=O)(NCC1CC2C=CC1C2)C(F)(F)F.

What is the InChIKey of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1,1-trifluoromethanesulfonamide;tert-butyl bicyclo[2.2.1]hept-5-ene-2-carboxylate;tert-butyl 6-methyl-5-[3-methyl-6-[(trifluoromethylsulfonylamino)methyl]-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane-2-carboxylate;methane?

The InChIKey is NPFXVWLRJGOWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36F3NO4S.C12H18O2.C9H12F3NO2S.5CH4/c1-11-13-6-15(10-27-32(29,30)23(24,25)26)17(7-13)20(11)19-12(2)16-8-14(19)9-18(16)21(28)31-22(3,4)5;1-12(2,3)14-11(13)10-7-8-4-5-9(10)6-8;10-9(11,12)16(14,15)13-5-8-4-6-1-2-7(8)3-6;;;;;/h11-20,27H,6-10H2,1-5H3;4-5,8-10H,6-7H2,1-3H3;1-2,6-8,13H,3-5H2;5*1H4.

What are the key properties of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1,1-trifluoromethanesulfonamide;tert-butyl bicyclo[2.2.1]hept-5-ene-2-carboxylate;tert-butyl 6-methyl-5-[3-methyl-6-[(trifluoromethylsulfonylamino)methyl]-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane-2-carboxylate;methane?

N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1,1-trifluoromethanesulfonamide;tert-butyl bicyclo[2.2.1]hept-5-ene-2-carboxylate;tert-butyl 6-methyl-5-[3-methyl-6-[(trifluoromethylsulfonylamino)methyl]-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane-2-carboxylate;methane has a molecular weight of 1009.35 g/mol, XLogP of 11.94, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1,1-trifluoromethanesulfonamide;tert-butyl bicyclo[2.2.1]hept-5-ene-2-carboxylate;tert-butyl 6-methyl-5-[3-methyl-6-[(trifluoromethylsulfonylamino)methyl]-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane-2-carboxylate;methane is sourced from PubChem (CID 159845507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).