(2S)-N-[(3aS,4R,6aR)-2-[3-(trifluoromethyl)phenyl]sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-4-methyl-2-morpholin-4-ylpentanamide

C24H34F3N3O4S — CID 54674156

About (2S)-N-[(3aS,4R,6aR)-2-[3-(trifluoromethyl)phenyl]sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-4-methyl-2-morpholin-4-ylpentanamide

(2S)-N-[(3aS,4R,6aR)-2-[3-(trifluoromethyl)phenyl]sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-4-methyl-2-morpholin-4-ylpentanamide (PubChem CID 54674156) has the molecular formula C24H34F3N3O4S and a molecular weight of 517.61 g/mol. Its IUPAC name is (2S)-N-[(3aS,4R,6aR)-2-[3-(trifluoromethyl)phenyl]sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-4-methyl-2-morpholin-4-ylpentanamide.

Molecular Properties

• Compound Name: (2S)-N-[(3aS,4R,6aR)-2-[3-(trifluoromethyl)phenyl]sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-4-methyl-2-morpholin-4-ylpentanamide
• PubChem CID: 54674156
• Molecular Formula: C24H34F3N3O4S
• Molecular Weight: 517.61 g/mol
• Exact Mass: 517.22
• IUPAC Name: (2S)-N-[(3aS,4R,6aR)-2-[3-(trifluoromethyl)phenyl]sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-4-methyl-2-morpholin-4-ylpentanamide
• SMILES: CC(C)C[C@@H](C(=O)N[C@@H]1CC[C@H]2CN(S(=O)(=O)c3cccc(C(F)(F)F)c3)C[C@H]21)N1CCOCC1
• InChI: InChI=1S/C24H34F3N3O4S/c1-16(2)12-22(29-8-10-34-11-9-29)23(31)28-21-7-6-17-14-30(15-20(17)21)35(32,33)19-5-3-4-18(13-19)24(25,26)27/h3-5,13,16-17,20-22H,6-12,14-15H2,1-2H3,(H,28,31)/t17-,20+,21+,22-/m0/s1
• InChIKey: ILKHGRYOCFZOEV-UPZYVNNASA-N
• XLogP: 2.97
• TPSA: 78.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	517.61
LogP ≤ 5	2.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(3aS,4R,6aR)-2-[3-(trifluoromethyl)phenyl]sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-4-methyl-2-morpholin-4-ylpentanamide?

The IUPAC name of (2S)-N-[(3aS,4R,6aR)-2-[3-(trifluoromethyl)phenyl]sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-4-methyl-2-morpholin-4-ylpentanamide (CID 54674156) is (2S)-N-[(3aS,4R,6aR)-2-[3-(trifluoromethyl)phenyl]sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-4-methyl-2-morpholin-4-ylpentanamide.

What is the SMILES notation for (2S)-N-[(3aS,4R,6aR)-2-[3-(trifluoromethyl)phenyl]sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-4-methyl-2-morpholin-4-ylpentanamide?

The canonical SMILES for (2S)-N-[(3aS,4R,6aR)-2-[3-(trifluoromethyl)phenyl]sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-4-methyl-2-morpholin-4-ylpentanamide is CC(C)C[C@@H](C(=O)N[C@@H]1CC[C@H]2CN(S(=O)(=O)c3cccc(C(F)(F)F)c3)C[C@H]21)N1CCOCC1.

What is the InChIKey of (2S)-N-[(3aS,4R,6aR)-2-[3-(trifluoromethyl)phenyl]sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-4-methyl-2-morpholin-4-ylpentanamide?

The InChIKey is ILKHGRYOCFZOEV-UPZYVNNASA-N. The full InChI is InChI=1S/C24H34F3N3O4S/c1-16(2)12-22(29-8-10-34-11-9-29)23(31)28-21-7-6-17-14-30(15-20(17)21)35(32,33)19-5-3-4-18(13-19)24(25,26)27/h3-5,13,16-17,20-22H,6-12,14-15H2,1-2H3,(H,28,31)/t17-,20+,21+,22-/m0/s1.

What are the key properties of (2S)-N-[(3aS,4R,6aR)-2-[3-(trifluoromethyl)phenyl]sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-4-methyl-2-morpholin-4-ylpentanamide?

(2S)-N-[(3aS,4R,6aR)-2-[3-(trifluoromethyl)phenyl]sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-4-methyl-2-morpholin-4-ylpentanamide has a molecular weight of 517.61 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-[(3aS,4R,6aR)-2-[3-(trifluoromethyl)phenyl]sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-4-methyl-2-morpholin-4-ylpentanamide is sourced from PubChem (CID 54674156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).