4-[3-[4-[(E)-2-pyridin-2-ylethenyl]sulfonylphenoxy]propyl]morpholine;hydrochloride

C20H25ClN2O4S — CID 155539584

IUPAC4-[3-[4-[(E)-2-pyridin-2-ylethenyl]sulfonylphenoxy]propyl]morpholine;hydrochloride
SMILESCl.O=S(=O)(/C=C/c1ccccn1)c1ccc(OCCCN2CCOCC2)cc1
InChIInChI=1S/C20H24N2O4S.ClH/c23-27(24,17-9-18-4-1-2-10-21-18)20-7-5-19(6-8-20)26-14-3-11-22-12-15-25-16-13-22;/h1-2,4-10,17H,3,11-16H2;1H/b17-9+;
InChIKeyMBEIGLZYGYMCBX-WWIHJBQESA-N
MW424.95 g/mol
LogP3.05
Rot. Bonds8

About 4-[3-[4-[(E)-2-pyridin-2-ylethenyl]sulfonylphenoxy]propyl]morpholine;hydrochloride

4-[3-[4-[(E)-2-pyridin-2-ylethenyl]sulfonylphenoxy]propyl]morpholine;hydrochloride (PubChem CID 155539584) has the molecular formula C20H25ClN2O4S and a molecular weight of 424.95 g/mol. Its IUPAC name is 4-[3-[4-[(E)-2-pyridin-2-ylethenyl]sulfonylphenoxy]propyl]morpholine;hydrochloride.

Molecular Properties

Compound Name4-[3-[4-[(E)-2-pyridin-2-ylethenyl]sulfonylphenoxy]propyl]morpholine;hydrochloride
PubChem CID155539584
Molecular FormulaC20H25ClN2O4S
Molecular Weight424.95 g/mol
Exact Mass424.12
IUPAC Name4-[3-[4-[(E)-2-pyridin-2-ylethenyl]sulfonylphenoxy]propyl]morpholine;hydrochloride
SMILESCl.O=S(=O)(/C=C/c1ccccn1)c1ccc(OCCCN2CCOCC2)cc1
InChIInChI=1S/C20H24N2O4S.ClH/c23-27(24,17-9-18-4-1-2-10-21-18)20-7-5-19(6-8-20)26-14-3-11-22-12-15-25-16-13-22;/h1-2,4-10,17H,3,11-16H2;1H/b17-9+;
InChIKeyMBEIGLZYGYMCBX-WWIHJBQESA-N
XLogP3.05
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.95
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[3-[4-[(E)-2-pyridin-2-ylethenyl]sulfonylphenoxy]propyl]morpholine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-[(E)-2-pyridin-2-ylethenyl]sulfonylphenoxy]propyl]morpholine;hydrochloride?
The IUPAC name of 4-[3-[4-[(E)-2-pyridin-2-ylethenyl]sulfonylphenoxy]propyl]morpholine;hydrochloride (CID 155539584) is 4-[3-[4-[(E)-2-pyridin-2-ylethenyl]sulfonylphenoxy]propyl]morpholine;hydrochloride.
What is the SMILES notation for 4-[3-[4-[(E)-2-pyridin-2-ylethenyl]sulfonylphenoxy]propyl]morpholine;hydrochloride?
The canonical SMILES for 4-[3-[4-[(E)-2-pyridin-2-ylethenyl]sulfonylphenoxy]propyl]morpholine;hydrochloride is Cl.O=S(=O)(/C=C/c1ccccn1)c1ccc(OCCCN2CCOCC2)cc1.
What is the InChIKey of 4-[3-[4-[(E)-2-pyridin-2-ylethenyl]sulfonylphenoxy]propyl]morpholine;hydrochloride?
The InChIKey is MBEIGLZYGYMCBX-WWIHJBQESA-N. The full InChI is InChI=1S/C20H24N2O4S.ClH/c23-27(24,17-9-18-4-1-2-10-21-18)20-7-5-19(6-8-20)26-14-3-11-22-12-15-25-16-13-22;/h1-2,4-10,17H,3,11-16H2;1H/b17-9+;.
What are the key properties of 4-[3-[4-[(E)-2-pyridin-2-ylethenyl]sulfonylphenoxy]propyl]morpholine;hydrochloride?
4-[3-[4-[(E)-2-pyridin-2-ylethenyl]sulfonylphenoxy]propyl]morpholine;hydrochloride has a molecular weight of 424.95 g/mol, XLogP of 3.05, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-[(E)-2-pyridin-2-ylethenyl]sulfonylphenoxy]propyl]morpholine;hydrochloride is sourced from PubChem (CID 155539584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).