2-(2,2-dimethylpropyl)-6-ethylsulfonylpyridine;2-(2,2-dimethylpropyl)-1-methylimidazole;5-(2,2-dimethylpropyl)-1-methylimidazole;4-(2,2-dimethylpropyl)-1-methylpyrazole;5-(2,2-dimethylpropyl)-2-methylpyridine;2-(2,2-dimethylpropyl)-6-methylsulfanylpyridine;2-(2,2-dimethylpropyl)-1-oxidopyridin-1-ium;4-(2,2-dimethylpropyl)pyrimidine;5-(2,2-dimethylpropyl)-2-(trifluoromethyl)pyridine

C91H144F3N13O3S2 — CID 158750628

About 2-(2,2-dimethylpropyl)-6-ethylsulfonylpyridine;2-(2,2-dimethylpropyl)-1-methylimidazole;5-(2,2-dimethylpropyl)-1-methylimidazole;4-(2,2-dimethylpropyl)-1-methylpyrazole;5-(2,2-dimethylpropyl)-2-methylpyridine;2-(2,2-dimethylpropyl)-6-methylsulfanylpyridine;2-(2,2-dimethylpropyl)-1-oxidopyridin-1-ium;4-(2,2-dimethylpropyl)pyrimidine;5-(2,2-dimethylpropyl)-2-(trifluoromethyl)pyridine

2-(2,2-dimethylpropyl)-6-ethylsulfonylpyridine;2-(2,2-dimethylpropyl)-1-methylimidazole;5-(2,2-dimethylpropyl)-1-methylimidazole;4-(2,2-dimethylpropyl)-1-methylpyrazole;5-(2,2-dimethylpropyl)-2-methylpyridine;2-(2,2-dimethylpropyl)-6-methylsulfanylpyridine;2-(2,2-dimethylpropyl)-1-oxidopyridin-1-ium;4-(2,2-dimethylpropyl)pyrimidine;5-(2,2-dimethylpropyl)-2-(trifluoromethyl)pyridine (PubChem CID 158750628) has the molecular formula C91H144F3N13O3S2 and a molecular weight of 1589.37 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-6-ethylsulfonylpyridine;2-(2,2-dimethylpropyl)-1-methylimidazole;5-(2,2-dimethylpropyl)-1-methylimidazole;4-(2,2-dimethylpropyl)-1-methylpyrazole;5-(2,2-dimethylpropyl)-2-methylpyridine;2-(2,2-dimethylpropyl)-6-methylsulfanylpyridine;2-(2,2-dimethylpropyl)-1-oxidopyridin-1-ium;4-(2,2-dimethylpropyl)pyrimidine;5-(2,2-dimethylpropyl)-2-(trifluoromethyl)pyridine.

Molecular Properties

• Compound Name: 2-(2,2-dimethylpropyl)-6-ethylsulfonylpyridine;2-(2,2-dimethylpropyl)-1-methylimidazole;5-(2,2-dimethylpropyl)-1-methylimidazole;4-(2,2-dimethylpropyl)-1-methylpyrazole;5-(2,2-dimethylpropyl)-2-methylpyridine;2-(2,2-dimethylpropyl)-6-methylsulfanylpyridine;2-(2,2-dimethylpropyl)-1-oxidopyridin-1-ium;4-(2,2-dimethylpropyl)pyrimidine;5-(2,2-dimethylpropyl)-2-(trifluoromethyl)pyridine
• PubChem CID: 158750628
• Molecular Formula: C91H144F3N13O3S2
• Molecular Weight: 1589.37 g/mol
• Exact Mass: 1588.09
• IUPAC Name: 2-(2,2-dimethylpropyl)-6-ethylsulfonylpyridine;2-(2,2-dimethylpropyl)-1-methylimidazole;5-(2,2-dimethylpropyl)-1-methylimidazole;4-(2,2-dimethylpropyl)-1-methylpyrazole;5-(2,2-dimethylpropyl)-2-methylpyridine;2-(2,2-dimethylpropyl)-6-methylsulfanylpyridine;2-(2,2-dimethylpropyl)-1-oxidopyridin-1-ium;4-(2,2-dimethylpropyl)pyrimidine;5-(2,2-dimethylpropyl)-2-(trifluoromethyl)pyridine
• SMILES: CC(C)(C)Cc1ccc(C(F)(F)F)nc1.CC(C)(C)Cc1cccc[n+]1[O-].CC(C)(C)Cc1ccncn1.CCS(=O)(=O)c1cccc(CC(C)(C)C)n1.CSc1cccc(CC(C)(C)C)n1.Cc1ccc(CC(C)(C)C)cn1.Cn1cc(CC(C)(C)C)cn1.Cn1ccnc1CC(C)(C)C.Cn1cncc1CC(C)(C)C
• InChI: InChI=1S/C12H19NO2S.C11H14F3N.C11H17NS.C11H17N.C10H15NO.3C9H16N2.C9H14N2/c1-5-16(14,15)11-8-6-7-10(13-11)9-12(2,3)4;1-10(2,3)6-8-4-5-9(15-7-8)11(12,13)14;1-11(2,3)8-9-6-5-7-10(12-9)13-4;1-9-5-6-10(8-12-9)7-11(2,3)4;1-10(2,3)8-9-6-4-5-7-11(9)12;1-9(2,3)5-8-6-10-7-11(8)4;1-9(2,3)5-8-6-10-11(4)7-8;1-9(2,3)7-8-10-5-6-11(8)4;1-9(2,3)6-8-4-5-10-7-11-8/h6-8H,5,9H2,1-4H3;4-5,7H,6H2,1-3H3;5-7H,8H2,1-4H3;5-6,8H,7H2,1-4H3;4-7H,8H2,1-3H3;2*6-7H,5H2,1-4H3;5-6H,7H2,1-4H3;4-5,7H,6H2,1-3H3
• InChIKey: CHOFTCZLEZYCFJ-UHFFFAOYSA-N
• XLogP: 22.52
• TPSA: 191.88 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 12
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1589.37
LogP ≤ 5	22.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-6-ethylsulfonylpyridine;2-(2,2-dimethylpropyl)-1-methylimidazole;5-(2,2-dimethylpropyl)-1-methylimidazole;4-(2,2-dimethylpropyl)-1-methylpyrazole;5-(2,2-dimethylpropyl)-2-methylpyridine;2-(2,2-dimethylpropyl)-6-methylsulfanylpyridine;2-(2,2-dimethylpropyl)-1-oxidopyridin-1-ium;4-(2,2-dimethylpropyl)pyrimidine;5-(2,2-dimethylpropyl)-2-(trifluoromethyl)pyridine?

The IUPAC name of 2-(2,2-dimethylpropyl)-6-ethylsulfonylpyridine;2-(2,2-dimethylpropyl)-1-methylimidazole;5-(2,2-dimethylpropyl)-1-methylimidazole;4-(2,2-dimethylpropyl)-1-methylpyrazole;5-(2,2-dimethylpropyl)-2-methylpyridine;2-(2,2-dimethylpropyl)-6-methylsulfanylpyridine;2-(2,2-dimethylpropyl)-1-oxidopyridin-1-ium;4-(2,2-dimethylpropyl)pyrimidine;5-(2,2-dimethylpropyl)-2-(trifluoromethyl)pyridine (CID 158750628) is 2-(2,2-dimethylpropyl)-6-ethylsulfonylpyridine;2-(2,2-dimethylpropyl)-1-methylimidazole;5-(2,2-dimethylpropyl)-1-methylimidazole;4-(2,2-dimethylpropyl)-1-methylpyrazole;5-(2,2-dimethylpropyl)-2-methylpyridine;2-(2,2-dimethylpropyl)-6-methylsulfanylpyridine;2-(2,2-dimethylpropyl)-1-oxidopyridin-1-ium;4-(2,2-dimethylpropyl)pyrimidine;5-(2,2-dimethylpropyl)-2-(trifluoromethyl)pyridine.

What is the SMILES notation for 2-(2,2-dimethylpropyl)-6-ethylsulfonylpyridine;2-(2,2-dimethylpropyl)-1-methylimidazole;5-(2,2-dimethylpropyl)-1-methylimidazole;4-(2,2-dimethylpropyl)-1-methylpyrazole;5-(2,2-dimethylpropyl)-2-methylpyridine;2-(2,2-dimethylpropyl)-6-methylsulfanylpyridine;2-(2,2-dimethylpropyl)-1-oxidopyridin-1-ium;4-(2,2-dimethylpropyl)pyrimidine;5-(2,2-dimethylpropyl)-2-(trifluoromethyl)pyridine?

The canonical SMILES for 2-(2,2-dimethylpropyl)-6-ethylsulfonylpyridine;2-(2,2-dimethylpropyl)-1-methylimidazole;5-(2,2-dimethylpropyl)-1-methylimidazole;4-(2,2-dimethylpropyl)-1-methylpyrazole;5-(2,2-dimethylpropyl)-2-methylpyridine;2-(2,2-dimethylpropyl)-6-methylsulfanylpyridine;2-(2,2-dimethylpropyl)-1-oxidopyridin-1-ium;4-(2,2-dimethylpropyl)pyrimidine;5-(2,2-dimethylpropyl)-2-(trifluoromethyl)pyridine is CC(C)(C)Cc1ccc(C(F)(F)F)nc1.CC(C)(C)Cc1cccc[n+]1[O-].CC(C)(C)Cc1ccncn1.CCS(=O)(=O)c1cccc(CC(C)(C)C)n1.CSc1cccc(CC(C)(C)C)n1.Cc1ccc(CC(C)(C)C)cn1.Cn1cc(CC(C)(C)C)cn1.Cn1ccnc1CC(C)(C)C.Cn1cncc1CC(C)(C)C.

What is the InChIKey of 2-(2,2-dimethylpropyl)-6-ethylsulfonylpyridine;2-(2,2-dimethylpropyl)-1-methylimidazole;5-(2,2-dimethylpropyl)-1-methylimidazole;4-(2,2-dimethylpropyl)-1-methylpyrazole;5-(2,2-dimethylpropyl)-2-methylpyridine;2-(2,2-dimethylpropyl)-6-methylsulfanylpyridine;2-(2,2-dimethylpropyl)-1-oxidopyridin-1-ium;4-(2,2-dimethylpropyl)pyrimidine;5-(2,2-dimethylpropyl)-2-(trifluoromethyl)pyridine?

The InChIKey is CHOFTCZLEZYCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S.C11H14F3N.C11H17NS.C11H17N.C10H15NO.3C9H16N2.C9H14N2/c1-5-16(14,15)11-8-6-7-10(13-11)9-12(2,3)4;1-10(2,3)6-8-4-5-9(15-7-8)11(12,13)14;1-11(2,3)8-9-6-5-7-10(12-9)13-4;1-9-5-6-10(8-12-9)7-11(2,3)4;1-10(2,3)8-9-6-4-5-7-11(9)12;1-9(2,3)5-8-6-10-7-11(8)4;1-9(2,3)5-8-6-10-11(4)7-8;1-9(2,3)7-8-10-5-6-11(8)4;1-9(2,3)6-8-4-5-10-7-11-8/h6-8H,5,9H2,1-4H3;4-5,7H,6H2,1-3H3;5-7H,8H2,1-4H3;5-6,8H,7H2,1-4H3;4-7H,8H2,1-3H3;2*6-7H,5H2,1-4H3;5-6H,7H2,1-4H3;4-5,7H,6H2,1-3H3.

What are the key properties of 2-(2,2-dimethylpropyl)-6-ethylsulfonylpyridine;2-(2,2-dimethylpropyl)-1-methylimidazole;5-(2,2-dimethylpropyl)-1-methylimidazole;4-(2,2-dimethylpropyl)-1-methylpyrazole;5-(2,2-dimethylpropyl)-2-methylpyridine;2-(2,2-dimethylpropyl)-6-methylsulfanylpyridine;2-(2,2-dimethylpropyl)-1-oxidopyridin-1-ium;4-(2,2-dimethylpropyl)pyrimidine;5-(2,2-dimethylpropyl)-2-(trifluoromethyl)pyridine?

2-(2,2-dimethylpropyl)-6-ethylsulfonylpyridine;2-(2,2-dimethylpropyl)-1-methylimidazole;5-(2,2-dimethylpropyl)-1-methylimidazole;4-(2,2-dimethylpropyl)-1-methylpyrazole;5-(2,2-dimethylpropyl)-2-methylpyridine;2-(2,2-dimethylpropyl)-6-methylsulfanylpyridine;2-(2,2-dimethylpropyl)-1-oxidopyridin-1-ium;4-(2,2-dimethylpropyl)pyrimidine;5-(2,2-dimethylpropyl)-2-(trifluoromethyl)pyridine has a molecular weight of 1589.37 g/mol, XLogP of 22.52, 12 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,2-dimethylpropyl)-6-ethylsulfonylpyridine;2-(2,2-dimethylpropyl)-1-methylimidazole;5-(2,2-dimethylpropyl)-1-methylimidazole;4-(2,2-dimethylpropyl)-1-methylpyrazole;5-(2,2-dimethylpropyl)-2-methylpyridine;2-(2,2-dimethylpropyl)-6-methylsulfanylpyridine;2-(2,2-dimethylpropyl)-1-oxidopyridin-1-ium;4-(2,2-dimethylpropyl)pyrimidine;5-(2,2-dimethylpropyl)-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 158750628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).