1-morpholin-4-yl-2-(2-phenylsulfanylphenyl)ethanimine;hydrochloride

C18H21ClN2OS — CID 3088325

IUPAC1-morpholin-4-yl-2-(2-phenylsulfanylphenyl)ethanimine;hydrochloride
SMILESCl.[H]/N=C(/Cc1ccccc1Sc1ccccc1)N1CCOCC1
InChIInChI=1S/C18H20N2OS.ClH/c19-18(20-10-12-21-13-11-20)14-15-6-4-5-9-17(15)22-16-7-2-1-3-8-16;/h1-9,19H,10-14H2;1H/b19-18-;
InChIKeyQJBXPPNDDYSTCX-TVWXOORISA-N
MW348.90 g/mol
LogP4.11
Rot. Bonds4

About 1-morpholin-4-yl-2-(2-phenylsulfanylphenyl)ethanimine;hydrochloride

1-morpholin-4-yl-2-(2-phenylsulfanylphenyl)ethanimine;hydrochloride (PubChem CID 3088325) has the molecular formula C18H21ClN2OS and a molecular weight of 348.90 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-(2-phenylsulfanylphenyl)ethanimine;hydrochloride.

Molecular Properties

Compound Name1-morpholin-4-yl-2-(2-phenylsulfanylphenyl)ethanimine;hydrochloride
PubChem CID3088325
Molecular FormulaC18H21ClN2OS
Molecular Weight348.90 g/mol
Exact Mass348.11
IUPAC Name1-morpholin-4-yl-2-(2-phenylsulfanylphenyl)ethanimine;hydrochloride
SMILESCl.[H]/N=C(/Cc1ccccc1Sc1ccccc1)N1CCOCC1
InChIInChI=1S/C18H20N2OS.ClH/c19-18(20-10-12-21-13-11-20)14-15-6-4-5-9-17(15)22-16-7-2-1-3-8-16;/h1-9,19H,10-14H2;1H/b19-18-;
InChIKeyQJBXPPNDDYSTCX-TVWXOORISA-N
XLogP4.11
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.90
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1,3-dimorpholin-4-ylpropane-1,3-diimine
CID 123506612
2-phenyl-1-pyrrolidin-1-ylethanimine
CID 54561938
1-(2-bromoprop-2-enyl)-2-phenylsulfanylbenzene
CID 164667148
1,2-dimorpholin-4-yl-2-phenylethanone;hydrochloride
CID 6603248
(2R)-3-(2-phenylsulfanylphenyl)-2-pyrrolidin-1-ylpropanoic acid
CID 100554006
2-(2-chlorophenyl)sulfanyl-1-pyrrolidin-1-ylethanimine
CID 66153926
(E)-2-benzyl-3-imino-N-methyl-1,3-dimorpholin-4-ylprop-1-en-1-amine
CID 136645139
(2S)-2-(4-phenylpiperazin-1-yl)-3-(2-phenylsulfanylphenyl)propanoic acid
CID 100554100
(2S)-3-(2-phenylsulfanylphenyl)-2-piperidin-1-ylpropanoic acid
CID 100554036
1,2-dimorpholin-4-yl-2-phenylethanone
CID 657415
2-chloro-1-morpholin-4-yl-4-phenylbutan-1-one
CID 62880416
2,3-dihydro-1,4-benzodioxin-3-yl(morpholin-4-yl)methanimine
CID 65351501

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-(2-phenylsulfanylphenyl)ethanimine;hydrochloride?
The IUPAC name of 1-morpholin-4-yl-2-(2-phenylsulfanylphenyl)ethanimine;hydrochloride (CID 3088325) is 1-morpholin-4-yl-2-(2-phenylsulfanylphenyl)ethanimine;hydrochloride.
What is the SMILES notation for 1-morpholin-4-yl-2-(2-phenylsulfanylphenyl)ethanimine;hydrochloride?
The canonical SMILES for 1-morpholin-4-yl-2-(2-phenylsulfanylphenyl)ethanimine;hydrochloride is Cl.[H]/N=C(/Cc1ccccc1Sc1ccccc1)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-2-(2-phenylsulfanylphenyl)ethanimine;hydrochloride?
The InChIKey is QJBXPPNDDYSTCX-TVWXOORISA-N. The full InChI is InChI=1S/C18H20N2OS.ClH/c19-18(20-10-12-21-13-11-20)14-15-6-4-5-9-17(15)22-16-7-2-1-3-8-16;/h1-9,19H,10-14H2;1H/b19-18-;.
What are the key properties of 1-morpholin-4-yl-2-(2-phenylsulfanylphenyl)ethanimine;hydrochloride?
1-morpholin-4-yl-2-(2-phenylsulfanylphenyl)ethanimine;hydrochloride has a molecular weight of 348.90 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-(2-phenylsulfanylphenyl)ethanimine;hydrochloride is sourced from PubChem (CID 3088325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).