4-(2,2-dimethylpropyl)-2-(2-ethoxyprop-2-enoxy)pyridine;4-(2,2-dimethylpropyl)pyridine-2-carboxamide;N-[5-(2,2-dimethylpropyl)-2-pyridinyl]methanesulfonamide;[5-(2,2-dimethylpropyl)-2-pyridinyl]-methyl-methylidene-oxo-λ6-sulfane

C49H76N6O6S2 — CID 162085769

About 4-(2,2-dimethylpropyl)-2-(2-ethoxyprop-2-enoxy)pyridine;4-(2,2-dimethylpropyl)pyridine-2-carboxamide;N-[5-(2,2-dimethylpropyl)-2-pyridinyl]methanesulfonamide;[5-(2,2-dimethylpropyl)-2-pyridinyl]-methyl-methylidene-oxo-λ6-sulfane

4-(2,2-dimethylpropyl)-2-(2-ethoxyprop-2-enoxy)pyridine;4-(2,2-dimethylpropyl)pyridine-2-carboxamide;N-[5-(2,2-dimethylpropyl)-2-pyridinyl]methanesulfonamide;[5-(2,2-dimethylpropyl)-2-pyridinyl]-methyl-methylidene-oxo-λ6-sulfane (PubChem CID 162085769) has the molecular formula C49H76N6O6S2 and a molecular weight of 909.32 g/mol. Its IUPAC name is 4-(2,2-dimethylpropyl)-2-(2-ethoxyprop-2-enoxy)pyridine;4-(2,2-dimethylpropyl)pyridine-2-carboxamide;N-[5-(2,2-dimethylpropyl)-2-pyridinyl]methanesulfonamide;[5-(2,2-dimethylpropyl)-2-pyridinyl]-methyl-methylidene-oxo-λ6-sulfane.

Molecular Properties

• Compound Name: 4-(2,2-dimethylpropyl)-2-(2-ethoxyprop-2-enoxy)pyridine;4-(2,2-dimethylpropyl)pyridine-2-carboxamide;N-[5-(2,2-dimethylpropyl)-2-pyridinyl]methanesulfonamide;[5-(2,2-dimethylpropyl)-2-pyridinyl]-methyl-methylidene-oxo-λ6-sulfane
• PubChem CID: 162085769
• Molecular Formula: C49H76N6O6S2
• Molecular Weight: 909.32 g/mol
• Exact Mass: 908.53
• IUPAC Name: 4-(2,2-dimethylpropyl)-2-(2-ethoxyprop-2-enoxy)pyridine;4-(2,2-dimethylpropyl)pyridine-2-carboxamide;N-[5-(2,2-dimethylpropyl)-2-pyridinyl]methanesulfonamide;[5-(2,2-dimethylpropyl)-2-pyridinyl]-methyl-methylidene-oxo-λ6-sulfane
• SMILES: C=C(COc1cc(CC(C)(C)C)ccn1)OCC.C=S(C)(=O)c1ccc(CC(C)(C)C)cn1.CC(C)(C)Cc1ccc(NS(C)(=O)=O)nc1.CC(C)(C)Cc1ccnc(C(N)=O)c1
• InChI: InChI=1S/C15H23NO2.C12H19NOS.C11H18N2O2S.C11H16N2O/c1-6-17-12(2)11-18-14-9-13(7-8-16-14)10-15(3,4)5;1-12(2,3)8-10-6-7-11(13-9-10)15(4,5)14;1-11(2,3)7-9-5-6-10(12-8-9)13-16(4,14)15;1-11(2,3)7-8-4-5-13-9(6-8)10(12)14/h7-9H,2,6,10-11H2,1,3-5H3;6-7,9H,4,8H2,1-3,5H3;5-6,8H,7H2,1-4H3,(H,12,13);4-6H,7H2,1-3H3,(H2,12,14)
• InChIKey: ZCXZGIJUPONNLF-UHFFFAOYSA-N
• XLogP: 9.79
• TPSA: 176.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 13
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	909.32
LogP ≤ 5	9.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropyl)-2-(2-ethoxyprop-2-enoxy)pyridine;4-(2,2-dimethylpropyl)pyridine-2-carboxamide;N-[5-(2,2-dimethylpropyl)-2-pyridinyl]methanesulfonamide;[5-(2,2-dimethylpropyl)-2-pyridinyl]-methyl-methylidene-oxo-λ6-sulfane?

The IUPAC name of 4-(2,2-dimethylpropyl)-2-(2-ethoxyprop-2-enoxy)pyridine;4-(2,2-dimethylpropyl)pyridine-2-carboxamide;N-[5-(2,2-dimethylpropyl)-2-pyridinyl]methanesulfonamide;[5-(2,2-dimethylpropyl)-2-pyridinyl]-methyl-methylidene-oxo-λ6-sulfane (CID 162085769) is 4-(2,2-dimethylpropyl)-2-(2-ethoxyprop-2-enoxy)pyridine;4-(2,2-dimethylpropyl)pyridine-2-carboxamide;N-[5-(2,2-dimethylpropyl)-2-pyridinyl]methanesulfonamide;[5-(2,2-dimethylpropyl)-2-pyridinyl]-methyl-methylidene-oxo-λ6-sulfane.

What is the SMILES notation for 4-(2,2-dimethylpropyl)-2-(2-ethoxyprop-2-enoxy)pyridine;4-(2,2-dimethylpropyl)pyridine-2-carboxamide;N-[5-(2,2-dimethylpropyl)-2-pyridinyl]methanesulfonamide;[5-(2,2-dimethylpropyl)-2-pyridinyl]-methyl-methylidene-oxo-λ6-sulfane?

The canonical SMILES for 4-(2,2-dimethylpropyl)-2-(2-ethoxyprop-2-enoxy)pyridine;4-(2,2-dimethylpropyl)pyridine-2-carboxamide;N-[5-(2,2-dimethylpropyl)-2-pyridinyl]methanesulfonamide;[5-(2,2-dimethylpropyl)-2-pyridinyl]-methyl-methylidene-oxo-λ6-sulfane is C=C(COc1cc(CC(C)(C)C)ccn1)OCC.C=S(C)(=O)c1ccc(CC(C)(C)C)cn1.CC(C)(C)Cc1ccc(NS(C)(=O)=O)nc1.CC(C)(C)Cc1ccnc(C(N)=O)c1.

What is the InChIKey of 4-(2,2-dimethylpropyl)-2-(2-ethoxyprop-2-enoxy)pyridine;4-(2,2-dimethylpropyl)pyridine-2-carboxamide;N-[5-(2,2-dimethylpropyl)-2-pyridinyl]methanesulfonamide;[5-(2,2-dimethylpropyl)-2-pyridinyl]-methyl-methylidene-oxo-λ6-sulfane?

The InChIKey is ZCXZGIJUPONNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2.C12H19NOS.C11H18N2O2S.C11H16N2O/c1-6-17-12(2)11-18-14-9-13(7-8-16-14)10-15(3,4)5;1-12(2,3)8-10-6-7-11(13-9-10)15(4,5)14;1-11(2,3)7-9-5-6-10(12-8-9)13-16(4,14)15;1-11(2,3)7-8-4-5-13-9(6-8)10(12)14/h7-9H,2,6,10-11H2,1,3-5H3;6-7,9H,4,8H2,1-3,5H3;5-6,8H,7H2,1-4H3,(H,12,13);4-6H,7H2,1-3H3,(H2,12,14).

What are the key properties of 4-(2,2-dimethylpropyl)-2-(2-ethoxyprop-2-enoxy)pyridine;4-(2,2-dimethylpropyl)pyridine-2-carboxamide;N-[5-(2,2-dimethylpropyl)-2-pyridinyl]methanesulfonamide;[5-(2,2-dimethylpropyl)-2-pyridinyl]-methyl-methylidene-oxo-λ6-sulfane?

4-(2,2-dimethylpropyl)-2-(2-ethoxyprop-2-enoxy)pyridine;4-(2,2-dimethylpropyl)pyridine-2-carboxamide;N-[5-(2,2-dimethylpropyl)-2-pyridinyl]methanesulfonamide;[5-(2,2-dimethylpropyl)-2-pyridinyl]-methyl-methylidene-oxo-λ6-sulfane has a molecular weight of 909.32 g/mol, XLogP of 9.79, 13 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2,2-dimethylpropyl)-2-(2-ethoxyprop-2-enoxy)pyridine;4-(2,2-dimethylpropyl)pyridine-2-carboxamide;N-[5-(2,2-dimethylpropyl)-2-pyridinyl]methanesulfonamide;[5-(2,2-dimethylpropyl)-2-pyridinyl]-methyl-methylidene-oxo-λ6-sulfane is sourced from PubChem (CID 162085769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).