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-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide;fluoroform;molecular hydrogen

C38H53F6N9O5S — CID 162529664

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-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide;fluoroform;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-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide;fluoroform;molecular hydrogen (PubChem CID 162529664) has the molecular formula C38H53F6N9O5S and a molecular weight of 861.95 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-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide;fluoroform;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-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide;fluoroform;molecular hydrogen
• PubChem CID: 162529664
• Molecular Formula: C38H53F6N9O5S
• Molecular Weight: 861.95 g/mol
• Exact Mass: 861.38
• 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-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide;fluoroform;molecular hydrogen
• SMILES: CC1(C)C(=O)N(c2cnc(C#N)c(C(F)(F)F)c2)C(=S)N1C1CCCCC1.FC(F)F.O=C1CCC(Nc2cccc(NC(=O)CN3CCN(CCO)CC3)c2)C(=O)N1.[H][H].[H][H].[H][H]
• InChI: InChI=1S/C19H27N5O4.C18H19F3N4OS.CHF3.3H2/c25-11-10-23-6-8-24(9-7-23)13-18(27)21-15-3-1-2-14(12-15)20-16-4-5-17(26)22-19(16)28;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;2-1(3)4;;;/h1-3,12,16,20,25H,4-11,13H2,(H,21,27)(H,22,26,28);8,10-11H,3-7H2,1-2H3;1H;3*1H
• InChIKey: PKMCKYFOSJHYAZ-UHFFFAOYSA-N
• XLogP: 5.39
• TPSA: 174.24 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	861.95
LogP ≤ 5	5.39
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

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-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide;fluoroform;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-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide;fluoroform;molecular hydrogen (CID 162529664) 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-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide;fluoroform;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-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide;fluoroform;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-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide;fluoroform;molecular hydrogen is CC1(C)C(=O)N(c2cnc(C#N)c(C(F)(F)F)c2)C(=S)N1C1CCCCC1.FC(F)F.O=C1CCC(Nc2cccc(NC(=O)CN3CCN(CCO)CC3)c2)C(=O)N1.[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-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide;fluoroform;molecular hydrogen?

The InChIKey is PKMCKYFOSJHYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O4.C18H19F3N4OS.CHF3.3H2/c25-11-10-23-6-8-24(9-7-23)13-18(27)21-15-3-1-2-14(12-15)20-16-4-5-17(26)22-19(16)28;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;2-1(3)4;;;/h1-3,12,16,20,25H,4-11,13H2,(H,21,27)(H,22,26,28);8,10-11H,3-7H2,1-2H3;1H;3*1H.

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-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide;fluoroform;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-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide;fluoroform;molecular hydrogen has a molecular weight of 861.95 g/mol, XLogP of 5.39, 9 rotatable bonds, 4 hydrogen bond donors, and 11 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-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide;fluoroform;molecular hydrogen is sourced from PubChem (CID 162529664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).