2,4-dichloro-6-[[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]iminomethyl]phenol

C17H19Cl2N2O2S+ — CID 135595948

IUPAC2,4-dichloro-6-[[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]iminomethyl]phenol
SMILESOc1c(Cl)cc(Cl)cc1/C=N/C[C@@H](c1cccs1)[NH+]1CCOCC1
InChIInChI=1S/C17H18Cl2N2O2S/c18-13-8-12(17(22)14(19)9-13)10-20-11-15(16-2-1-7-24-16)21-3-5-23-6-4-21/h1-2,7-10,15,22H,3-6,11H2/p+1/b20-10+/t15-/m0/s1
InChIKeyJIGRMVNKFZIXKN-VYXQJKENSA-O
MW386.32 g/mol
LogP2.84
Rot. Bonds5

About 2,4-dichloro-6-[[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]iminomethyl]phenol

2,4-dichloro-6-[[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]iminomethyl]phenol (PubChem CID 135595948) has the molecular formula C17H19Cl2N2O2S+ and a molecular weight of 386.32 g/mol. Its IUPAC name is 2,4-dichloro-6-[[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]iminomethyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]iminomethyl]phenol
PubChem CID135595948
Molecular FormulaC17H19Cl2N2O2S+
Molecular Weight386.32 g/mol
Exact Mass385.05
IUPAC Name2,4-dichloro-6-[[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]iminomethyl]phenol
SMILESOc1c(Cl)cc(Cl)cc1/C=N/C[C@@H](c1cccs1)[NH+]1CCOCC1
InChIInChI=1S/C17H18Cl2N2O2S/c18-13-8-12(17(22)14(19)9-13)10-20-11-15(16-2-1-7-24-16)21-3-5-23-6-4-21/h1-2,7-10,15,22H,3-6,11H2/p+1/b20-10+/t15-/m0/s1
InChIKeyJIGRMVNKFZIXKN-VYXQJKENSA-O
XLogP2.84
TPSA46.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.32
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2,4-dichloro-6-[[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]iminomethyl]phenol with MolForge

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

Launch Full Analysis

Related Compounds

2,4-dichloro-6-[[(2S)-2-(4-methylpiperazine-1,4-diium-1-yl)-2-thiophen-2-ylethyl]iminomethyl]phenol
CID 135758214
4-chloro-2-[[(2R)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]iminomethyl]-6-nitrophenolate
CID 7607445
2,4-dichloro-6-[[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]iminomethyl]phenol
CID 135597898
2,4-dichloro-6-[[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]iminomethyl]phenol
CID 135758215
2,4-dichloro-6-[[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]iminomethyl]phenol
CID 135598194
4-chloro-2-[[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]iminomethyl]-6-nitrophenol
CID 135758237
[(1R)-2-[(5-chloro-2-hydroxyphenyl)methylideneamino]-1-thiophen-2-ylethyl]-dimethylazanium
CID 135597908
2,4-dichloro-6-[(E)-hydrazinylidenemethyl]phenol
CID 135445572
2,4-dichloro-6-[6-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]hexyliminomethyl]phenol
CID 3884626
4-chloro-2-[[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]iminomethyl]phenol
CID 135758278
2,4-dichloro-6-[[(1R,2R)-1-morpholin-4-yl-1-phenylpropan-2-yl]iminomethyl]phenol
CID 135758405
2-(4-chloro-2-methylphenoxy)-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]acetamide
CID 9094142

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]iminomethyl]phenol?
The IUPAC name of 2,4-dichloro-6-[[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]iminomethyl]phenol (CID 135595948) is 2,4-dichloro-6-[[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]iminomethyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]iminomethyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]iminomethyl]phenol is Oc1c(Cl)cc(Cl)cc1/C=N/C[C@@H](c1cccs1)[NH+]1CCOCC1.
What is the InChIKey of 2,4-dichloro-6-[[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]iminomethyl]phenol?
The InChIKey is JIGRMVNKFZIXKN-VYXQJKENSA-O. The full InChI is InChI=1S/C17H18Cl2N2O2S/c18-13-8-12(17(22)14(19)9-13)10-20-11-15(16-2-1-7-24-16)21-3-5-23-6-4-21/h1-2,7-10,15,22H,3-6,11H2/p+1/b20-10+/t15-/m0/s1.
What are the key properties of 2,4-dichloro-6-[[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]iminomethyl]phenol?
2,4-dichloro-6-[[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]iminomethyl]phenol has a molecular weight of 386.32 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]iminomethyl]phenol is sourced from PubChem (CID 135595948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).