1-(5-chlorothiophen-2-yl)-N-(4-morpholin-4-ylphenyl)methanimine

C15H15ClN2OS — CID 4269460

IUPAC1-(5-chlorothiophen-2-yl)-N-(4-morpholin-4-ylphenyl)methanimine
SMILESClc1ccc(/C=N/c2ccc(N3CCOCC3)cc2)s1
InChIInChI=1S/C15H15ClN2OS/c16-15-6-5-14(20-15)11-17-12-1-3-13(4-2-12)18-7-9-19-10-8-18/h1-6,11H,7-10H2/b17-11+
InChIKeySOKYKMFGWQLHDV-GZTJUZNOSA-N
MW306.82 g/mol
LogP3.99
Rot. Bonds3

About 1-(5-chlorothiophen-2-yl)-N-(4-morpholin-4-ylphenyl)methanimine

1-(5-chlorothiophen-2-yl)-N-(4-morpholin-4-ylphenyl)methanimine (PubChem CID 4269460) has the molecular formula C15H15ClN2OS and a molecular weight of 306.82 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-N-(4-morpholin-4-ylphenyl)methanimine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-N-(4-morpholin-4-ylphenyl)methanimine
PubChem CID4269460
Molecular FormulaC15H15ClN2OS
Molecular Weight306.82 g/mol
Exact Mass306.06
IUPAC Name1-(5-chlorothiophen-2-yl)-N-(4-morpholin-4-ylphenyl)methanimine
SMILESClc1ccc(/C=N/c2ccc(N3CCOCC3)cc2)s1
InChIInChI=1S/C15H15ClN2OS/c16-15-6-5-14(20-15)11-17-12-1-3-13(4-2-12)18-7-9-19-10-8-18/h1-6,11H,7-10H2/b17-11+
InChIKeySOKYKMFGWQLHDV-GZTJUZNOSA-N
XLogP3.99
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.82
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-N-(4-morpholin-4-ylphenyl)methanimine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-N-(4-morpholin-4-ylphenyl)methanimine (CID 4269460) is 1-(5-chlorothiophen-2-yl)-N-(4-morpholin-4-ylphenyl)methanimine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-N-(4-morpholin-4-ylphenyl)methanimine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-N-(4-morpholin-4-ylphenyl)methanimine is Clc1ccc(/C=N/c2ccc(N3CCOCC3)cc2)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-N-(4-morpholin-4-ylphenyl)methanimine?
The InChIKey is SOKYKMFGWQLHDV-GZTJUZNOSA-N. The full InChI is InChI=1S/C15H15ClN2OS/c16-15-6-5-14(20-15)11-17-12-1-3-13(4-2-12)18-7-9-19-10-8-18/h1-6,11H,7-10H2/b17-11+.
What are the key properties of 1-(5-chlorothiophen-2-yl)-N-(4-morpholin-4-ylphenyl)methanimine?
1-(5-chlorothiophen-2-yl)-N-(4-morpholin-4-ylphenyl)methanimine has a molecular weight of 306.82 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-N-(4-morpholin-4-ylphenyl)methanimine is sourced from PubChem (CID 4269460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).