N,2-diethyl-N'-[(4-morpholin-4-ylphenyl)methyl]thiomorpholine-4-carboximidamide

C20H32N4OS — CID 109484666

IUPACN,2-diethyl-N'-[(4-morpholin-4-ylphenyl)methyl]thiomorpholine-4-carboximidamide
SMILESCCN/C(=N\Cc1ccc(N2CCOCC2)cc1)N1CCSC(CC)C1
InChIInChI=1S/C20H32N4OS/c1-3-19-16-24(11-14-26-19)20(21-4-2)22-15-17-5-7-18(8-6-17)23-9-12-25-13-10-23/h5-8,19H,3-4,9-16H2,1-2H3,(H,21,22)
InChIKeyLBWBHWIZTRYFTF-UHFFFAOYSA-N
MW376.57 g/mol
LogP2.82
Rot. Bonds5

About N,2-diethyl-N'-[(4-morpholin-4-ylphenyl)methyl]thiomorpholine-4-carboximidamide

N,2-diethyl-N'-[(4-morpholin-4-ylphenyl)methyl]thiomorpholine-4-carboximidamide (PubChem CID 109484666) has the molecular formula C20H32N4OS and a molecular weight of 376.57 g/mol. Its IUPAC name is N,2-diethyl-N'-[(4-morpholin-4-ylphenyl)methyl]thiomorpholine-4-carboximidamide.

Molecular Properties

Compound NameN,2-diethyl-N'-[(4-morpholin-4-ylphenyl)methyl]thiomorpholine-4-carboximidamide
PubChem CID109484666
Molecular FormulaC20H32N4OS
Molecular Weight376.57 g/mol
Exact Mass376.23
IUPAC NameN,2-diethyl-N'-[(4-morpholin-4-ylphenyl)methyl]thiomorpholine-4-carboximidamide
SMILESCCN/C(=N\Cc1ccc(N2CCOCC2)cc1)N1CCSC(CC)C1
InChIInChI=1S/C20H32N4OS/c1-3-19-16-24(11-14-26-19)20(21-4-2)22-15-17-5-7-18(8-6-17)23-9-12-25-13-10-23/h5-8,19H,3-4,9-16H2,1-2H3,(H,21,22)
InChIKeyLBWBHWIZTRYFTF-UHFFFAOYSA-N
XLogP2.82
TPSA40.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.57
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-[[4-(2,5-dihydropyrrol-1-yl)phenyl]methyl]-N,2-diethylthiomorpholine-4-carboximidamide
CID 109486056
N'-benzyl-N,2-diethylthiomorpholine-4-carboximidamide
CID 109486214
N,2-diethyl-N'-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 109486259
4-[[[ethylamino-(2-ethylthiomorpholin-4-yl)methylidene]amino]methyl]benzamide;hydroiodide
CID 109485533
N'-[[4-(dimethylsulfamoyl)phenyl]methyl]-N,2-diethylthiomorpholine-4-carboximidamide
CID 109484608
N,2-diethyl-N'-[[4-(2-methoxyethoxy)phenyl]methyl]thiomorpholine-4-carboximidamide
CID 109487128
N,2-diethyl-N'-(thiophen-2-ylmethyl)thiomorpholine-4-carboximidamide
CID 109485860
N-[4-[[[ethylamino-(2-ethylthiomorpholin-4-yl)methylidene]amino]methyl]phenyl]-2-methylpropanamide;hydroiodide
CID 109486289
N,2-diethyl-N'-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 109485829
N,2-diethyl-N'-(furan-2-ylmethyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 109486841
N,2-diethyl-N'-[(2-methylpyrazol-3-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 109485519
N,2-diethyl-N'-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 109486077

Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-N'-[(4-morpholin-4-ylphenyl)methyl]thiomorpholine-4-carboximidamide?
The IUPAC name of N,2-diethyl-N'-[(4-morpholin-4-ylphenyl)methyl]thiomorpholine-4-carboximidamide (CID 109484666) is N,2-diethyl-N'-[(4-morpholin-4-ylphenyl)methyl]thiomorpholine-4-carboximidamide.
What is the SMILES notation for N,2-diethyl-N'-[(4-morpholin-4-ylphenyl)methyl]thiomorpholine-4-carboximidamide?
The canonical SMILES for N,2-diethyl-N'-[(4-morpholin-4-ylphenyl)methyl]thiomorpholine-4-carboximidamide is CCN/C(=N\Cc1ccc(N2CCOCC2)cc1)N1CCSC(CC)C1.
What is the InChIKey of N,2-diethyl-N'-[(4-morpholin-4-ylphenyl)methyl]thiomorpholine-4-carboximidamide?
The InChIKey is LBWBHWIZTRYFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4OS/c1-3-19-16-24(11-14-26-19)20(21-4-2)22-15-17-5-7-18(8-6-17)23-9-12-25-13-10-23/h5-8,19H,3-4,9-16H2,1-2H3,(H,21,22).
What are the key properties of N,2-diethyl-N'-[(4-morpholin-4-ylphenyl)methyl]thiomorpholine-4-carboximidamide?
N,2-diethyl-N'-[(4-morpholin-4-ylphenyl)methyl]thiomorpholine-4-carboximidamide has a molecular weight of 376.57 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-N'-[(4-morpholin-4-ylphenyl)methyl]thiomorpholine-4-carboximidamide is sourced from PubChem (CID 109484666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).