5-[(E)-2-ethoxyethenyl]-6-(oxan-4-ylmethylamino)pyridine-3-sulfonamide

C15H23N3O4S — CID 67168968

IUPAC5-[(E)-2-ethoxyethenyl]-6-(oxan-4-ylmethylamino)pyridine-3-sulfonamide
SMILESCCO/C=C/c1cc(S(N)(=O)=O)cnc1NCC1CCOCC1
InChIInChI=1S/C15H23N3O4S/c1-2-21-8-5-13-9-14(23(16,19)20)11-18-15(13)17-10-12-3-6-22-7-4-12/h5,8-9,11-12H,2-4,6-7,10H2,1H3,(H,17,18)(H2,16,19,20)/b8-5+
InChIKeyDADHWHXEXPYKKL-VMPITWQZSA-N
MW341.43 g/mol
LogP1.57
Rot. Bonds7

About 5-[(E)-2-ethoxyethenyl]-6-(oxan-4-ylmethylamino)pyridine-3-sulfonamide

5-[(E)-2-ethoxyethenyl]-6-(oxan-4-ylmethylamino)pyridine-3-sulfonamide (PubChem CID 67168968) has the molecular formula C15H23N3O4S and a molecular weight of 341.43 g/mol. Its IUPAC name is 5-[(E)-2-ethoxyethenyl]-6-(oxan-4-ylmethylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-[(E)-2-ethoxyethenyl]-6-(oxan-4-ylmethylamino)pyridine-3-sulfonamide
PubChem CID67168968
Molecular FormulaC15H23N3O4S
Molecular Weight341.43 g/mol
Exact Mass341.14
IUPAC Name5-[(E)-2-ethoxyethenyl]-6-(oxan-4-ylmethylamino)pyridine-3-sulfonamide
SMILESCCO/C=C/c1cc(S(N)(=O)=O)cnc1NCC1CCOCC1
InChIInChI=1S/C15H23N3O4S/c1-2-21-8-5-13-9-14(23(16,19)20)11-18-15(13)17-10-12-3-6-22-7-4-12/h5,8-9,11-12H,2-4,6-7,10H2,1H3,(H,17,18)(H2,16,19,20)/b8-5+
InChIKeyDADHWHXEXPYKKL-VMPITWQZSA-N
XLogP1.57
TPSA103.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-ethoxyethenyl]-6-(oxan-4-ylmethylamino)pyridine-3-sulfonamide?
The IUPAC name of 5-[(E)-2-ethoxyethenyl]-6-(oxan-4-ylmethylamino)pyridine-3-sulfonamide (CID 67168968) is 5-[(E)-2-ethoxyethenyl]-6-(oxan-4-ylmethylamino)pyridine-3-sulfonamide.
What is the SMILES notation for 5-[(E)-2-ethoxyethenyl]-6-(oxan-4-ylmethylamino)pyridine-3-sulfonamide?
The canonical SMILES for 5-[(E)-2-ethoxyethenyl]-6-(oxan-4-ylmethylamino)pyridine-3-sulfonamide is CCO/C=C/c1cc(S(N)(=O)=O)cnc1NCC1CCOCC1.
What is the InChIKey of 5-[(E)-2-ethoxyethenyl]-6-(oxan-4-ylmethylamino)pyridine-3-sulfonamide?
The InChIKey is DADHWHXEXPYKKL-VMPITWQZSA-N. The full InChI is InChI=1S/C15H23N3O4S/c1-2-21-8-5-13-9-14(23(16,19)20)11-18-15(13)17-10-12-3-6-22-7-4-12/h5,8-9,11-12H,2-4,6-7,10H2,1H3,(H,17,18)(H2,16,19,20)/b8-5+.
What are the key properties of 5-[(E)-2-ethoxyethenyl]-6-(oxan-4-ylmethylamino)pyridine-3-sulfonamide?
5-[(E)-2-ethoxyethenyl]-6-(oxan-4-ylmethylamino)pyridine-3-sulfonamide has a molecular weight of 341.43 g/mol, XLogP of 1.57, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-ethoxyethenyl]-6-(oxan-4-ylmethylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 67168968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).