N'-methyl-2-(2-methylphenyl)-N-[2-(2-methylsulfonylethoxy)ethyl]morpholine-4-carboximidamide

C18H29N3O4S — CID 109481332

IUPACN'-methyl-2-(2-methylphenyl)-N-[2-(2-methylsulfonylethoxy)ethyl]morpholine-4-carboximidamide
SMILESC/N=C(\NCCOCCS(C)(=O)=O)N1CCOC(c2ccccc2C)C1
InChIInChI=1S/C18H29N3O4S/c1-15-6-4-5-7-16(15)17-14-21(9-11-25-17)18(19-2)20-8-10-24-12-13-26(3,22)23/h4-7,17H,8-14H2,1-3H3,(H,19,20)
InChIKeyURXUDBLIEFXCNW-UHFFFAOYSA-N
MW383.51 g/mol
LogP1.00
Rot. Bonds7

About N'-methyl-2-(2-methylphenyl)-N-[2-(2-methylsulfonylethoxy)ethyl]morpholine-4-carboximidamide

N'-methyl-2-(2-methylphenyl)-N-[2-(2-methylsulfonylethoxy)ethyl]morpholine-4-carboximidamide (PubChem CID 109481332) has the molecular formula C18H29N3O4S and a molecular weight of 383.51 g/mol. Its IUPAC name is N'-methyl-2-(2-methylphenyl)-N-[2-(2-methylsulfonylethoxy)ethyl]morpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-methyl-2-(2-methylphenyl)-N-[2-(2-methylsulfonylethoxy)ethyl]morpholine-4-carboximidamide
PubChem CID109481332
Molecular FormulaC18H29N3O4S
Molecular Weight383.51 g/mol
Exact Mass383.19
IUPAC NameN'-methyl-2-(2-methylphenyl)-N-[2-(2-methylsulfonylethoxy)ethyl]morpholine-4-carboximidamide
SMILESC/N=C(\NCCOCCS(C)(=O)=O)N1CCOC(c2ccccc2C)C1
InChIInChI=1S/C18H29N3O4S/c1-15-6-4-5-7-16(15)17-14-21(9-11-25-17)18(19-2)20-8-10-24-12-13-26(3,22)23/h4-7,17H,8-14H2,1-3H3,(H,19,20)
InChIKeyURXUDBLIEFXCNW-UHFFFAOYSA-N
XLogP1.00
TPSA80.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.51
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-butoxyethoxy)ethyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109480418
N'-methyl-N-(3-methylbutyl)-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109479895
N-(3-fluoropropyl)-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109481667
N'-methyl-2-(2-methylphenyl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]morpholine-4-carboximidamide;hydroiodide
CID 109480215
N'-methyl-2-(2-methylphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]morpholine-4-carboximidamide
CID 109480303
N'-methyl-N-[3-(4-methyl-1,4-diazepan-1-yl)propyl]-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109480279
N'-methyl-2-(2-methylphenyl)-N-[2-(oxan-2-ylmethylsulfamoyl)ethyl]morpholine-4-carboximidamide;hydroiodide
CID 109479700
N'-methyl-2-(2-methylphenyl)-N-[(1-methylsulfonylpyrrolidin-3-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 109481908
N'-methyl-2-(2-methylphenyl)-N-prop-2-ynylmorpholine-4-carboximidamide;hydroiodide
CID 109479908
N-[4-(diethylamino)butyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109480236
N'-methyl-N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109481283
N'-methyl-2-(2-methylphenyl)-N-(3-pyrazol-1-ylpropyl)morpholine-4-carboximidamide;hydroiodide
CID 109480998

Frequently Asked Questions

What is the IUPAC name of N'-methyl-2-(2-methylphenyl)-N-[2-(2-methylsulfonylethoxy)ethyl]morpholine-4-carboximidamide?
The IUPAC name of N'-methyl-2-(2-methylphenyl)-N-[2-(2-methylsulfonylethoxy)ethyl]morpholine-4-carboximidamide (CID 109481332) is N'-methyl-2-(2-methylphenyl)-N-[2-(2-methylsulfonylethoxy)ethyl]morpholine-4-carboximidamide.
What is the SMILES notation for N'-methyl-2-(2-methylphenyl)-N-[2-(2-methylsulfonylethoxy)ethyl]morpholine-4-carboximidamide?
The canonical SMILES for N'-methyl-2-(2-methylphenyl)-N-[2-(2-methylsulfonylethoxy)ethyl]morpholine-4-carboximidamide is C/N=C(\NCCOCCS(C)(=O)=O)N1CCOC(c2ccccc2C)C1.
What is the InChIKey of N'-methyl-2-(2-methylphenyl)-N-[2-(2-methylsulfonylethoxy)ethyl]morpholine-4-carboximidamide?
The InChIKey is URXUDBLIEFXCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O4S/c1-15-6-4-5-7-16(15)17-14-21(9-11-25-17)18(19-2)20-8-10-24-12-13-26(3,22)23/h4-7,17H,8-14H2,1-3H3,(H,19,20).
What are the key properties of N'-methyl-2-(2-methylphenyl)-N-[2-(2-methylsulfonylethoxy)ethyl]morpholine-4-carboximidamide?
N'-methyl-2-(2-methylphenyl)-N-[2-(2-methylsulfonylethoxy)ethyl]morpholine-4-carboximidamide has a molecular weight of 383.51 g/mol, XLogP of 1.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-2-(2-methylphenyl)-N-[2-(2-methylsulfonylethoxy)ethyl]morpholine-4-carboximidamide is sourced from PubChem (CID 109481332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).