N'-hydroxy-2-(2-methoxyethylsulfamoylamino)ethanimidamide

C5H14N4O4S — CID 104978766

IUPACN'-hydroxy-2-(2-methoxyethylsulfamoylamino)ethanimidamide
SMILESCOCCNS(=O)(=O)NCC(N)=NO
InChIInChI=1S/C5H14N4O4S/c1-13-3-2-7-14(11,12)8-4-5(6)9-10/h7-8,10H,2-4H2,1H3,(H2,6,9)
InChIKeyURWUFJDNVYYXAD-UHFFFAOYSA-N
MW226.26 g/mol
LogP-2.20
Rot. Bonds7

About N'-hydroxy-2-(2-methoxyethylsulfamoylamino)ethanimidamide

N'-hydroxy-2-(2-methoxyethylsulfamoylamino)ethanimidamide (PubChem CID 104978766) has the molecular formula C5H14N4O4S and a molecular weight of 226.26 g/mol. Its IUPAC name is N'-hydroxy-2-(2-methoxyethylsulfamoylamino)ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(2-methoxyethylsulfamoylamino)ethanimidamide
PubChem CID104978766
Molecular FormulaC5H14N4O4S
Molecular Weight226.26 g/mol
Exact Mass226.07
IUPAC NameN'-hydroxy-2-(2-methoxyethylsulfamoylamino)ethanimidamide
SMILESCOCCNS(=O)(=O)NCC(N)=NO
InChIInChI=1S/C5H14N4O4S/c1-13-3-2-7-14(11,12)8-4-5(6)9-10/h7-8,10H,2-4H2,1H3,(H2,6,9)
InChIKeyURWUFJDNVYYXAD-UHFFFAOYSA-N
XLogP-2.20
TPSA126.04 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.26
LogP ≤ 5-2.20
H-Bond Donors ≤ 54
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'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(ethylsulfamoylamino)-N'-hydroxyethanimidamide
CID 104978310
1-(2-methoxyethylsulfamoylamino)-3,3-dimethylbutan-2-one
CID 114815341
2-(2-methoxyethylsulfamoylamino)ethanesulfonamide
CID 114816615
3-fluoro-N'-hydroxy-4-[(2-methoxyethylsulfamoylamino)methyl]benzenecarboximidamide
CID 114816593
methyl 2-(2-methoxyethylsulfamoylamino)propanoate
CID 114816323
2-[cyclopentyl(2-methoxyethylsulfamoyl)amino]-N'-hydroxyethanimidamide
CID 104978825
2-(2-methoxyethylsulfamoylamino)-1-phenylethanone
CID 114815339
N'-hydroxy-5-(3-methoxypropylsulfonylamino)pentanimidamide
CID 77036941
N'-hydroxy-2-(2-propan-2-yloxyethylsulfonylamino)ethanimidamide
CID 79594323
N'-hydroxy-3-(methylsulfamoylamino)propanimidamide
CID 104978422
1-N-(2-methoxyethylsulfamoyl)butane-1,2-diamine
CID 114816081
2-fluoro-N'-hydroxy-6-(2-methoxyethylsulfamoylamino)benzenecarboximidamide
CID 114816573

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(2-methoxyethylsulfamoylamino)ethanimidamide?
The IUPAC name of N'-hydroxy-2-(2-methoxyethylsulfamoylamino)ethanimidamide (CID 104978766) is N'-hydroxy-2-(2-methoxyethylsulfamoylamino)ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-(2-methoxyethylsulfamoylamino)ethanimidamide?
The canonical SMILES for N'-hydroxy-2-(2-methoxyethylsulfamoylamino)ethanimidamide is COCCNS(=O)(=O)NCC(N)=NO.
What is the InChIKey of N'-hydroxy-2-(2-methoxyethylsulfamoylamino)ethanimidamide?
The InChIKey is URWUFJDNVYYXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N4O4S/c1-13-3-2-7-14(11,12)8-4-5(6)9-10/h7-8,10H,2-4H2,1H3,(H2,6,9).
What are the key properties of N'-hydroxy-2-(2-methoxyethylsulfamoylamino)ethanimidamide?
N'-hydroxy-2-(2-methoxyethylsulfamoylamino)ethanimidamide has a molecular weight of 226.26 g/mol, XLogP of -2.20, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(2-methoxyethylsulfamoylamino)ethanimidamide is sourced from PubChem (CID 104978766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).