2-ethyl-N'-methyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]thiomorpholine-4-carboximidamide

C20H32N4OS — CID 109486890

IUPAC2-ethyl-N'-methyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]thiomorpholine-4-carboximidamide
SMILESCCC1CN(/C(=N/C)NCc2ccccc2CN2CCOCC2)CCS1
InChIInChI=1S/C20H32N4OS/c1-3-19-16-24(10-13-26-19)20(21-2)22-14-17-6-4-5-7-18(17)15-23-8-11-25-12-9-23/h4-7,19H,3,8-16H2,1-2H3,(H,21,22)
InChIKeyJJGVERAKHNTERR-UHFFFAOYSA-N
MW376.57 g/mol
LogP2.42
Rot. Bonds5

About 2-ethyl-N'-methyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]thiomorpholine-4-carboximidamide

2-ethyl-N'-methyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]thiomorpholine-4-carboximidamide (PubChem CID 109486890) has the molecular formula C20H32N4OS and a molecular weight of 376.57 g/mol. Its IUPAC name is 2-ethyl-N'-methyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]thiomorpholine-4-carboximidamide.

Molecular Properties

Compound Name2-ethyl-N'-methyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]thiomorpholine-4-carboximidamide
PubChem CID109486890
Molecular FormulaC20H32N4OS
Molecular Weight376.57 g/mol
Exact Mass376.23
IUPAC Name2-ethyl-N'-methyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]thiomorpholine-4-carboximidamide
SMILESCCC1CN(/C(=N/C)NCc2ccccc2CN2CCOCC2)CCS1
InChIInChI=1S/C20H32N4OS/c1-3-19-16-24(10-13-26-19)20(21-2)22-14-17-6-4-5-7-18(17)15-23-8-11-25-12-9-23/h4-7,19H,3,8-16H2,1-2H3,(H,21,22)
InChIKeyJJGVERAKHNTERR-UHFFFAOYSA-N
XLogP2.42
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 ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2-ethyl-N'-methyl-N-(quinolin-8-ylmethyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 109484767
2-ethyl-N'-methyl-N-(4-morpholin-4-ylbutyl)thiomorpholine-4-carboximidamide
CID 109484636
2-ethyl-N'-methyl-N-[(4-methylphenyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 109487155
2-ethyl-N'-methyl-N-(thiophen-3-ylmethyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 109486137
2-[[C-(2-ethylthiomorpholin-4-yl)-N-methylcarbonimidoyl]amino]-N-phenylacetamide;hydroiodide
CID 109484811
2-ethyl-N'-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 109485068
2-ethyl-N-(1H-indol-2-ylmethyl)-N'-methylthiomorpholine-4-carboximidamide;hydroiodide
CID 109486479
N'-methyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111206615
2-ethyl-N'-methyl-N-[(2-methylpyrazol-3-yl)methyl]thiomorpholine-4-carboximidamide
CID 109486234
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-2-ethyl-N'-methylthiomorpholine-4-carboximidamide;hydroiodide
CID 109486185
N-[2-[[C-(2-ethylthiomorpholin-4-yl)-N-methylcarbonimidoyl]amino]ethyl]benzamide;hydroiodide
CID 109485455
2-ethyl-N'-methyl-N-(2-phenoxyethyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 109485883

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N'-methyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]thiomorpholine-4-carboximidamide?
The IUPAC name of 2-ethyl-N'-methyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]thiomorpholine-4-carboximidamide (CID 109486890) is 2-ethyl-N'-methyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]thiomorpholine-4-carboximidamide.
What is the SMILES notation for 2-ethyl-N'-methyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]thiomorpholine-4-carboximidamide?
The canonical SMILES for 2-ethyl-N'-methyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]thiomorpholine-4-carboximidamide is CCC1CN(/C(=N/C)NCc2ccccc2CN2CCOCC2)CCS1.
What is the InChIKey of 2-ethyl-N'-methyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]thiomorpholine-4-carboximidamide?
The InChIKey is JJGVERAKHNTERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4OS/c1-3-19-16-24(10-13-26-19)20(21-2)22-14-17-6-4-5-7-18(17)15-23-8-11-25-12-9-23/h4-7,19H,3,8-16H2,1-2H3,(H,21,22).
What are the key properties of 2-ethyl-N'-methyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]thiomorpholine-4-carboximidamide?
2-ethyl-N'-methyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]thiomorpholine-4-carboximidamide has a molecular weight of 376.57 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N'-methyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]thiomorpholine-4-carboximidamide is sourced from PubChem (CID 109486890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).