About 6-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide
6-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide (PubChem CID 134306396) has the molecular formula C27H30F3N5O2S
and a molecular weight of 545.63 g/mol. Its IUPAC name is 6-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide.
Molecular Properties
| Compound Name | 6-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide |
|---|
| PubChem CID | 134306396 |
|---|
| Molecular Formula | C27H30F3N5O2S |
|---|
| Molecular Weight | 545.63 g/mol |
|---|
| Exact Mass | 545.21 |
|---|
| IUPAC Name | 6-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide |
|---|
| SMILES | Cc1ccccc1-c1nc(NS(=O)(=O)c2cccc(N3CCC4(CCC[C@H]4N)CC3)n2)ccc1C(F)(F)F |
|---|
| InChI | InChI=1S/C27H30F3N5O2S/c1-18-6-2-3-7-19(18)25-20(27(28,29)30)11-12-22(32-25)34-38(36,37)24-10-4-9-23(33-24)35-16-14-26(15-17-35)13-5-8-21(26)31/h2-4,6-7,9-12,21H,5,8,13-17,31H2,1H3,(H,32,34)/t21-/m1/s1 |
|---|
| InChIKey | UBFRURNZCNIMMT-OAQYLSRUSA-N |
|---|
| XLogP | 5.37 |
|---|
| TPSA | 101.21 Ų |
|---|
| H-Bond Donors | 2 |
|---|
| H-Bond Acceptors | 6 |
|---|
| Rotatable Bonds | 5 |
|---|
| Heavy Atoms | 38 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 545.63 |
| LogP ≤ 5 | 5.37 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 6 |
Analyze 6-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of 6-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide?
The IUPAC name of 6-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide (CID 134306396) is 6-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide.
What is the SMILES notation for 6-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide?
The canonical SMILES for 6-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide is Cc1ccccc1-c1nc(NS(=O)(=O)c2cccc(N3CCC4(CCC[C@H]4N)CC3)n2)ccc1C(F)(F)F.
What is the InChIKey of 6-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide?
The InChIKey is UBFRURNZCNIMMT-OAQYLSRUSA-N. The full InChI is InChI=1S/C27H30F3N5O2S/c1-18-6-2-3-7-19(18)25-20(27(28,29)30)11-12-22(32-25)34-38(36,37)24-10-4-9-23(33-24)35-16-14-26(15-17-35)13-5-8-21(26)31/h2-4,6-7,9-12,21H,5,8,13-17,31H2,1H3,(H,32,34)/t21-/m1/s1.
What are the key properties of 6-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide?
6-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide has a molecular weight of 545.63 g/mol, XLogP of 5.37, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide is sourced from PubChem (CID 134306396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).