N'-hydroxy-4-(2-methoxyethylsulfamoyl)morpholine-2-carboximidamide

C8H18N4O5S — CID 104978832

IUPACN'-hydroxy-4-(2-methoxyethylsulfamoyl)morpholine-2-carboximidamide
SMILESCOCCNS(=O)(=O)N1CCOC(C(N)=NO)C1
InChIInChI=1S/C8H18N4O5S/c1-16-4-2-10-18(14,15)12-3-5-17-7(6-12)8(9)11-13/h7,10,13H,2-6H2,1H3,(H2,9,11)
InChIKeyHSXPTEUEHOOTEG-UHFFFAOYSA-N
MW282.32 g/mol
LogP-2.09
Rot. Bonds6

About N'-hydroxy-4-(2-methoxyethylsulfamoyl)morpholine-2-carboximidamide

N'-hydroxy-4-(2-methoxyethylsulfamoyl)morpholine-2-carboximidamide (PubChem CID 104978832) has the molecular formula C8H18N4O5S and a molecular weight of 282.32 g/mol. Its IUPAC name is N'-hydroxy-4-(2-methoxyethylsulfamoyl)morpholine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(2-methoxyethylsulfamoyl)morpholine-2-carboximidamide
PubChem CID104978832
Molecular FormulaC8H18N4O5S
Molecular Weight282.32 g/mol
Exact Mass282.10
IUPAC NameN'-hydroxy-4-(2-methoxyethylsulfamoyl)morpholine-2-carboximidamide
SMILESCOCCNS(=O)(=O)N1CCOC(C(N)=NO)C1
InChIInChI=1S/C8H18N4O5S/c1-16-4-2-10-18(14,15)12-3-5-17-7(6-12)8(9)11-13/h7,10,13H,2-6H2,1H3,(H2,9,11)
InChIKeyHSXPTEUEHOOTEG-UHFFFAOYSA-N
XLogP-2.09
TPSA126.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 5-2.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(1-aminoethyl)-N-(2-methoxyethyl)morpholine-4-sulfonamide
CID 114816234
(3S)-N-(2-methoxyethyl)-3-methylpiperidine-1-sulfonamide
CID 94063829
(3R)-N-(2-methoxyethyl)-3-methylpiperazine-1-sulfonamide
CID 104978727
3-(hydroxymethyl)-N-(2-methoxyethyl)pyrrolidine-1-sulfonamide
CID 114815642
3-amino-N-(2-methoxyethyl)-4-methylpyrrolidine-1-sulfonamide
CID 103576440
N-(2-methoxyethyl)azetidine-1-sulfonamide
CID 164583733
(2S)-N'-hydroxy-4-methylmorpholine-2-carboximidamide
CID 97045084
3-(1-aminoethyl)-N-(2-methoxyethyl)pyrrolidine-1-sulfonamide
CID 114816244
3-acetyl-N-(2-methoxyethyl)piperidine-1-sulfonamide
CID 114815332
(3S)-1-(2-methoxyethylsulfamoyl)piperidine-3-carboxylic acid
CID 104978646
N-[2-(2-methoxyethylamino)ethyl]morpholine-4-sulfonamide;hydrochloride
CID 120717809
N'-hydroxy-4-(2-methylsulfonylethyl)morpholine-2-carboximidamide
CID 79681146

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-(2-methoxyethylsulfamoyl)morpholine-2-carboximidamide?
The IUPAC name of N'-hydroxy-4-(2-methoxyethylsulfamoyl)morpholine-2-carboximidamide (CID 104978832) is N'-hydroxy-4-(2-methoxyethylsulfamoyl)morpholine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-4-(2-methoxyethylsulfamoyl)morpholine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-4-(2-methoxyethylsulfamoyl)morpholine-2-carboximidamide is COCCNS(=O)(=O)N1CCOC(C(N)=NO)C1.
What is the InChIKey of N'-hydroxy-4-(2-methoxyethylsulfamoyl)morpholine-2-carboximidamide?
The InChIKey is HSXPTEUEHOOTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4O5S/c1-16-4-2-10-18(14,15)12-3-5-17-7(6-12)8(9)11-13/h7,10,13H,2-6H2,1H3,(H2,9,11).
What are the key properties of N'-hydroxy-4-(2-methoxyethylsulfamoyl)morpholine-2-carboximidamide?
N'-hydroxy-4-(2-methoxyethylsulfamoyl)morpholine-2-carboximidamide has a molecular weight of 282.32 g/mol, XLogP of -2.09, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-(2-methoxyethylsulfamoyl)morpholine-2-carboximidamide is sourced from PubChem (CID 104978832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).