N-[2-[3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]morpholine-4-carboxamide;N-[2-[3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]morpholine-4-sulfonamide;3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-[2-(sulfamoylamino)acetyl]-8-azabicyclo[3.2.1]octane

C60H81F9N12O10S2 — CID 158110756

About N-[2-[3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]morpholine-4-carboxamide;N-[2-[3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]morpholine-4-sulfonamide;3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-[2-(sulfamoylamino)acetyl]-8-azabicyclo[3.2.1]octane

N-[2-[3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]morpholine-4-carboxamide;N-[2-[3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]morpholine-4-sulfonamide;3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-[2-(sulfamoylamino)acetyl]-8-azabicyclo[3.2.1]octane (PubChem CID 158110756) has the molecular formula C60H81F9N12O10S2 and a molecular weight of 1365.50 g/mol. Its IUPAC name is N-[2-[3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]morpholine-4-carboxamide;N-[2-[3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]morpholine-4-sulfonamide;3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-[2-(sulfamoylamino)acetyl]-8-azabicyclo[3.2.1]octane.

Molecular Properties

• Compound Name: N-[2-[3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]morpholine-4-carboxamide;N-[2-[3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]morpholine-4-sulfonamide;3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-[2-(sulfamoylamino)acetyl]-8-azabicyclo[3.2.1]octane
• PubChem CID: 158110756
• Molecular Formula: C60H81F9N12O10S2
• Molecular Weight: 1365.50 g/mol
• Exact Mass: 1364.55
• IUPAC Name: N-[2-[3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]morpholine-4-carboxamide;N-[2-[3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]morpholine-4-sulfonamide;3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-[2-(sulfamoylamino)acetyl]-8-azabicyclo[3.2.1]octane
• SMILES: N[C@H](Cc1cc(F)c(F)cc1F)C1CC2CCC(C1)N2C(=O)CNC(=O)N1CCOCC1.N[C@H](Cc1cc(F)c(F)cc1F)C1CC2CCC(C1)N2C(=O)CNS(=O)(=O)N1CCOCC1.N[C@H](Cc1cc(F)c(F)cc1F)C1CC2CCC(C1)N2C(=O)CNS(N)(=O)=O
• InChI: InChI=1S/C22H29F3N4O3.C21H29F3N4O4S.C17H23F3N4O3S/c23-17-11-19(25)18(24)9-13(17)10-20(26)14-7-15-1-2-16(8-14)29(15)21(30)12-27-22(31)28-3-5-32-6-4-28;22-17-11-19(24)18(23)9-13(17)10-20(25)14-7-15-1-2-16(8-14)28(15)21(29)12-26-33(30,31)27-3-5-32-6-4-27;18-13-7-15(20)14(19)5-9(13)6-16(21)10-3-11-1-2-12(4-10)24(11)17(25)8-23-28(22,26)27/h9,11,14-16,20H,1-8,10,12,26H2,(H,27,31);9,11,14-16,20,26H,1-8,10,12,25H2;5,7,10-12,16,23H,1-4,6,8,21H2,(H2,22,26,27)/t2*14?,15?,16?,20-;10?,11?,12?,16-/m111/s1
• InChIKey: FQKCGVYWSYXLSQ-FWOUSMSDSA-N
• XLogP: 3.23
• TPSA: 311.39 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 13
• Rotatable Bonds: 18
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1365.50
LogP ≤ 5	3.23
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]morpholine-4-carboxamide;N-[2-[3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]morpholine-4-sulfonamide;3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-[2-(sulfamoylamino)acetyl]-8-azabicyclo[3.2.1]octane?

The IUPAC name of N-[2-[3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]morpholine-4-carboxamide;N-[2-[3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]morpholine-4-sulfonamide;3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-[2-(sulfamoylamino)acetyl]-8-azabicyclo[3.2.1]octane (CID 158110756) is N-[2-[3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]morpholine-4-carboxamide;N-[2-[3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]morpholine-4-sulfonamide;3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-[2-(sulfamoylamino)acetyl]-8-azabicyclo[3.2.1]octane.

What is the SMILES notation for N-[2-[3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]morpholine-4-carboxamide;N-[2-[3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]morpholine-4-sulfonamide;3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-[2-(sulfamoylamino)acetyl]-8-azabicyclo[3.2.1]octane?

The canonical SMILES for N-[2-[3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]morpholine-4-carboxamide;N-[2-[3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]morpholine-4-sulfonamide;3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-[2-(sulfamoylamino)acetyl]-8-azabicyclo[3.2.1]octane is N[C@H](Cc1cc(F)c(F)cc1F)C1CC2CCC(C1)N2C(=O)CNC(=O)N1CCOCC1.N[C@H](Cc1cc(F)c(F)cc1F)C1CC2CCC(C1)N2C(=O)CNS(=O)(=O)N1CCOCC1.N[C@H](Cc1cc(F)c(F)cc1F)C1CC2CCC(C1)N2C(=O)CNS(N)(=O)=O.

What is the InChIKey of N-[2-[3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]morpholine-4-carboxamide;N-[2-[3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]morpholine-4-sulfonamide;3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-[2-(sulfamoylamino)acetyl]-8-azabicyclo[3.2.1]octane?

The InChIKey is FQKCGVYWSYXLSQ-FWOUSMSDSA-N. The full InChI is InChI=1S/C22H29F3N4O3.C21H29F3N4O4S.C17H23F3N4O3S/c23-17-11-19(25)18(24)9-13(17)10-20(26)14-7-15-1-2-16(8-14)29(15)21(30)12-27-22(31)28-3-5-32-6-4-28;22-17-11-19(24)18(23)9-13(17)10-20(25)14-7-15-1-2-16(8-14)28(15)21(29)12-26-33(30,31)27-3-5-32-6-4-27;18-13-7-15(20)14(19)5-9(13)6-16(21)10-3-11-1-2-12(4-10)24(11)17(25)8-23-28(22,26)27/h9,11,14-16,20H,1-8,10,12,26H2,(H,27,31);9,11,14-16,20,26H,1-8,10,12,25H2;5,7,10-12,16,23H,1-4,6,8,21H2,(H2,22,26,27)/t2*14?,15?,16?,20-;10?,11?,12?,16-/m111/s1.

What are the key properties of N-[2-[3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]morpholine-4-carboxamide;N-[2-[3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]morpholine-4-sulfonamide;3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-[2-(sulfamoylamino)acetyl]-8-azabicyclo[3.2.1]octane?

N-[2-[3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]morpholine-4-carboxamide;N-[2-[3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]morpholine-4-sulfonamide;3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-[2-(sulfamoylamino)acetyl]-8-azabicyclo[3.2.1]octane has a molecular weight of 1365.50 g/mol, XLogP of 3.23, 18 rotatable bonds, 7 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]morpholine-4-carboxamide;N-[2-[3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]morpholine-4-sulfonamide;3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-[2-(sulfamoylamino)acetyl]-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 158110756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).