5-(3-cyclohexyl-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl)-3-(trifluoromethyl)pyridine-2-carbonitrile;N-[3-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-2-[(2R,4S)-4-(2-hydroxyethyl)-2-methylpiperidin-1-yl]acetamide;ethane;molecular hydrogen

C41H61F3N8O5S — CID 162529676

About 5-(3-cyclohexyl-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl)-3-(trifluoromethyl)pyridine-2-carbonitrile;N-[3-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-2-[(2R,4S)-4-(2-hydroxyethyl)-2-methylpiperidin-1-yl]acetamide;ethane;molecular hydrogen

5-(3-cyclohexyl-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl)-3-(trifluoromethyl)pyridine-2-carbonitrile;N-[3-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-2-[(2R,4S)-4-(2-hydroxyethyl)-2-methylpiperidin-1-yl]acetamide;ethane;molecular hydrogen (PubChem CID 162529676) has the molecular formula C41H61F3N8O5S and a molecular weight of 835.05 g/mol. Its IUPAC name is 5-(3-cyclohexyl-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl)-3-(trifluoromethyl)pyridine-2-carbonitrile;N-[3-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-2-[(2R,4S)-4-(2-hydroxyethyl)-2-methylpiperidin-1-yl]acetamide;ethane;molecular hydrogen.

Molecular Properties

• Compound Name: 5-(3-cyclohexyl-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl)-3-(trifluoromethyl)pyridine-2-carbonitrile;N-[3-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-2-[(2R,4S)-4-(2-hydroxyethyl)-2-methylpiperidin-1-yl]acetamide;ethane;molecular hydrogen
• PubChem CID: 162529676
• Molecular Formula: C41H61F3N8O5S
• Molecular Weight: 835.05 g/mol
• Exact Mass: 834.44
• IUPAC Name: 5-(3-cyclohexyl-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl)-3-(trifluoromethyl)pyridine-2-carbonitrile;N-[3-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-2-[(2R,4S)-4-(2-hydroxyethyl)-2-methylpiperidin-1-yl]acetamide;ethane;molecular hydrogen
• SMILES: CC.CC1(C)C(=O)N(c2cnc(C#N)c(C(F)(F)F)c2)C(=S)N1C1CCCCC1.C[C@@H]1C[C@@H](CCO)CCN1CC(=O)Nc1cccc(NC2CCC(=O)NC2=O)c1.[H][H].[H][H].[H][H]
• InChI: InChI=1S/C21H30N4O4.C18H19F3N4OS.C2H6.3H2/c1-14-11-15(8-10-26)7-9-25(14)13-20(28)23-17-4-2-3-16(12-17)22-18-5-6-19(27)24-21(18)29;1-17(2)15(26)24(16(27)25(17)11-6-4-3-5-7-11)12-8-13(18(19,20)21)14(9-22)23-10-12;1-2;;;/h2-4,12,14-15,18,22,26H,5-11,13H2,1H3,(H,23,28)(H,24,27,29);8,10-11H,3-7H2,1-2H3;1-2H3;3*1H/t14-,15-,18?;;;;;/m1...../s1
• InChIKey: RVFCSHHMDPBLDX-LVRKBVCHSA-N
• XLogP: 7.11
• TPSA: 171.00 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	835.05
LogP ≤ 5	7.11
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(3-cyclohexyl-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl)-3-(trifluoromethyl)pyridine-2-carbonitrile;N-[3-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-2-[(2R,4S)-4-(2-hydroxyethyl)-2-methylpiperidin-1-yl]acetamide;ethane;molecular hydrogen?

The IUPAC name of 5-(3-cyclohexyl-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl)-3-(trifluoromethyl)pyridine-2-carbonitrile;N-[3-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-2-[(2R,4S)-4-(2-hydroxyethyl)-2-methylpiperidin-1-yl]acetamide;ethane;molecular hydrogen (CID 162529676) is 5-(3-cyclohexyl-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl)-3-(trifluoromethyl)pyridine-2-carbonitrile;N-[3-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-2-[(2R,4S)-4-(2-hydroxyethyl)-2-methylpiperidin-1-yl]acetamide;ethane;molecular hydrogen.

What is the SMILES notation for 5-(3-cyclohexyl-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl)-3-(trifluoromethyl)pyridine-2-carbonitrile;N-[3-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-2-[(2R,4S)-4-(2-hydroxyethyl)-2-methylpiperidin-1-yl]acetamide;ethane;molecular hydrogen?

The canonical SMILES for 5-(3-cyclohexyl-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl)-3-(trifluoromethyl)pyridine-2-carbonitrile;N-[3-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-2-[(2R,4S)-4-(2-hydroxyethyl)-2-methylpiperidin-1-yl]acetamide;ethane;molecular hydrogen is CC.CC1(C)C(=O)N(c2cnc(C#N)c(C(F)(F)F)c2)C(=S)N1C1CCCCC1.C[C@@H]1C[C@@H](CCO)CCN1CC(=O)Nc1cccc(NC2CCC(=O)NC2=O)c1.[H][H].[H][H].[H][H].

What is the InChIKey of 5-(3-cyclohexyl-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl)-3-(trifluoromethyl)pyridine-2-carbonitrile;N-[3-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-2-[(2R,4S)-4-(2-hydroxyethyl)-2-methylpiperidin-1-yl]acetamide;ethane;molecular hydrogen?

The InChIKey is RVFCSHHMDPBLDX-LVRKBVCHSA-N. The full InChI is InChI=1S/C21H30N4O4.C18H19F3N4OS.C2H6.3H2/c1-14-11-15(8-10-26)7-9-25(14)13-20(28)23-17-4-2-3-16(12-17)22-18-5-6-19(27)24-21(18)29;1-17(2)15(26)24(16(27)25(17)11-6-4-3-5-7-11)12-8-13(18(19,20)21)14(9-22)23-10-12;1-2;;;/h2-4,12,14-15,18,22,26H,5-11,13H2,1H3,(H,23,28)(H,24,27,29);8,10-11H,3-7H2,1-2H3;1-2H3;3*1H/t14-,15-,18?;;;;;/m1...../s1.

What are the key properties of 5-(3-cyclohexyl-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl)-3-(trifluoromethyl)pyridine-2-carbonitrile;N-[3-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-2-[(2R,4S)-4-(2-hydroxyethyl)-2-methylpiperidin-1-yl]acetamide;ethane;molecular hydrogen?

5-(3-cyclohexyl-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl)-3-(trifluoromethyl)pyridine-2-carbonitrile;N-[3-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-2-[(2R,4S)-4-(2-hydroxyethyl)-2-methylpiperidin-1-yl]acetamide;ethane;molecular hydrogen has a molecular weight of 835.05 g/mol, XLogP of 7.11, 9 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3-cyclohexyl-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl)-3-(trifluoromethyl)pyridine-2-carbonitrile;N-[3-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-2-[(2R,4S)-4-(2-hydroxyethyl)-2-methylpiperidin-1-yl]acetamide;ethane;molecular hydrogen is sourced from PubChem (CID 162529676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).