N'-(2-ethylsulfonylethyl)morpholine-4-carboximidamide

C9H19N3O3S — CID 111100374

IUPACN'-(2-ethylsulfonylethyl)morpholine-4-carboximidamide
SMILESCCS(=O)(=O)CC/N=C(\N)N1CCOCC1
InChIInChI=1S/C9H19N3O3S/c1-2-16(13,14)8-3-11-9(10)12-4-6-15-7-5-12/h2-8H2,1H3,(H2,10,11)
InChIKeyXERNRRDYPXYPMR-UHFFFAOYSA-N
MW249.34 g/mol
LogP-0.93
Rot. Bonds4

About N'-(2-ethylsulfonylethyl)morpholine-4-carboximidamide

N'-(2-ethylsulfonylethyl)morpholine-4-carboximidamide (PubChem CID 111100374) has the molecular formula C9H19N3O3S and a molecular weight of 249.34 g/mol. Its IUPAC name is N'-(2-ethylsulfonylethyl)morpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-(2-ethylsulfonylethyl)morpholine-4-carboximidamide
PubChem CID111100374
Molecular FormulaC9H19N3O3S
Molecular Weight249.34 g/mol
Exact Mass249.11
IUPAC NameN'-(2-ethylsulfonylethyl)morpholine-4-carboximidamide
SMILESCCS(=O)(=O)CC/N=C(\N)N1CCOCC1
InChIInChI=1S/C9H19N3O3S/c1-2-16(13,14)8-3-11-9(10)12-4-6-15-7-5-12/h2-8H2,1H3,(H2,10,11)
InChIKeyXERNRRDYPXYPMR-UHFFFAOYSA-N
XLogP-0.93
TPSA84.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 5-0.93
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

N'-[2-(benzenesulfonyl)ethyl]morpholine-4-carboximidamide
CID 111065084
N'-(2-ethoxyethyl)morpholine-4-carboximidamide;hydroiodide
CID 111045505
N'-[2-(diethylamino)ethyl]morpholine-4-carboximidamide;hydroiodide
CID 111022667
N'-(3-benzylsulfonylpropyl)morpholine-4-carboximidamide
CID 111065176
N'-[2-(2-fluorophenyl)sulfonylethyl]morpholine-4-carboximidamide
CID 111813018
N'-(2-methyl-2-methylsulfonylpropyl)morpholine-4-carboximidamide
CID 111752152
N'-[2-[ethyl(methyl)amino]ethyl]morpholine-4-carboximidamide;hydroiodide
CID 111085730
N'-ethyl-1,4-oxazepane-4-carboximidamide
CID 62972618
N'-[4-(diethylamino)butyl]morpholine-4-carboximidamide
CID 111059955
N'-[(1-methylsulfonylcyclopentyl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 120973772
N'-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]morpholine-4-carboximidamide
CID 111083219
N'-[4-(4-ethylpiperazin-1-yl)butyl]morpholine-4-carboximidamide;hydroiodide
CID 111060330

Frequently Asked Questions

What is the IUPAC name of N'-(2-ethylsulfonylethyl)morpholine-4-carboximidamide?
The IUPAC name of N'-(2-ethylsulfonylethyl)morpholine-4-carboximidamide (CID 111100374) is N'-(2-ethylsulfonylethyl)morpholine-4-carboximidamide.
What is the SMILES notation for N'-(2-ethylsulfonylethyl)morpholine-4-carboximidamide?
The canonical SMILES for N'-(2-ethylsulfonylethyl)morpholine-4-carboximidamide is CCS(=O)(=O)CC/N=C(\N)N1CCOCC1.
What is the InChIKey of N'-(2-ethylsulfonylethyl)morpholine-4-carboximidamide?
The InChIKey is XERNRRDYPXYPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O3S/c1-2-16(13,14)8-3-11-9(10)12-4-6-15-7-5-12/h2-8H2,1H3,(H2,10,11).
What are the key properties of N'-(2-ethylsulfonylethyl)morpholine-4-carboximidamide?
N'-(2-ethylsulfonylethyl)morpholine-4-carboximidamide has a molecular weight of 249.34 g/mol, XLogP of -0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-ethylsulfonylethyl)morpholine-4-carboximidamide is sourced from PubChem (CID 111100374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).