N'-hydroxy-3-[2-methoxyethyl(propylsulfamoyl)amino]propanimidamide

C9H22N4O4S — CID 104978456

IUPACN'-hydroxy-3-[2-methoxyethyl(propylsulfamoyl)amino]propanimidamide
SMILESCCCNS(=O)(=O)N(CCOC)CCC(N)=NO
InChIInChI=1S/C9H22N4O4S/c1-3-5-11-18(15,16)13(7-8-17-2)6-4-9(10)12-14/h11,14H,3-8H2,1-2H3,(H2,10,12)
InChIKeyYLCJGLJZRVQYJU-UHFFFAOYSA-N
MW282.37 g/mol
LogP-0.68
Rot. Bonds10

About N'-hydroxy-3-[2-methoxyethyl(propylsulfamoyl)amino]propanimidamide

N'-hydroxy-3-[2-methoxyethyl(propylsulfamoyl)amino]propanimidamide (PubChem CID 104978456) has the molecular formula C9H22N4O4S and a molecular weight of 282.37 g/mol. Its IUPAC name is N'-hydroxy-3-[2-methoxyethyl(propylsulfamoyl)amino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[2-methoxyethyl(propylsulfamoyl)amino]propanimidamide
PubChem CID104978456
Molecular FormulaC9H22N4O4S
Molecular Weight282.37 g/mol
Exact Mass282.14
IUPAC NameN'-hydroxy-3-[2-methoxyethyl(propylsulfamoyl)amino]propanimidamide
SMILESCCCNS(=O)(=O)N(CCOC)CCC(N)=NO
InChIInChI=1S/C9H22N4O4S/c1-3-5-11-18(15,16)13(7-8-17-2)6-4-9(10)12-14/h11,14H,3-8H2,1-2H3,(H2,10,12)
InChIKeyYLCJGLJZRVQYJU-UHFFFAOYSA-N
XLogP-0.68
TPSA117.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 5-0.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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

1-[[2-hydroxyethyl(2-methoxyethyl)sulfamoyl]amino]propane
CID 114809784
N'-hydroxy-3-[2-methoxyethyl(methylsulfonylmethylsulfonyl)amino]propanimidamide
CID 82843075
methyl N-[(3-amino-3-hydroxyiminopropyl)-ethylsulfamoyl]carbamate
CID 104929328
3-[ethylsulfamoyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide
CID 104978381
N'-hydroxy-3-[2-methoxyethyl(4,4,4-trifluorobutylsulfonyl)amino]propanimidamide
CID 83047156
N'-hydroxy-3-[2-methoxyethyl(2-methylsulfonylethyl)amino]propanimidamide
CID 76993993
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-(2-methoxyethyl)propanamide
CID 55219793
ethyl 2-[2-methoxyethylsulfamoyl(propyl)amino]acetate
CID 114816314
N'-hydroxy-3-[2-methoxyethyl-(3-methylpiperidin-1-yl)sulfonylamino]propanimidamide
CID 76993942
2-[cyclopentyl(2-methoxyethylsulfamoyl)amino]-N'-hydroxyethanimidamide
CID 104978825
N'-hydroxy-3-[2-methoxyethyl(2-propan-2-ylsulfonylethyl)amino]propanimidamide
CID 106725354
N'-hydroxy-2-[2-methylpropylsulfamoyl(propyl)amino]ethanimidamide
CID 104978790

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[2-methoxyethyl(propylsulfamoyl)amino]propanimidamide?
The IUPAC name of N'-hydroxy-3-[2-methoxyethyl(propylsulfamoyl)amino]propanimidamide (CID 104978456) is N'-hydroxy-3-[2-methoxyethyl(propylsulfamoyl)amino]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[2-methoxyethyl(propylsulfamoyl)amino]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[2-methoxyethyl(propylsulfamoyl)amino]propanimidamide is CCCNS(=O)(=O)N(CCOC)CCC(N)=NO.
What is the InChIKey of N'-hydroxy-3-[2-methoxyethyl(propylsulfamoyl)amino]propanimidamide?
The InChIKey is YLCJGLJZRVQYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N4O4S/c1-3-5-11-18(15,16)13(7-8-17-2)6-4-9(10)12-14/h11,14H,3-8H2,1-2H3,(H2,10,12).
What are the key properties of N'-hydroxy-3-[2-methoxyethyl(propylsulfamoyl)amino]propanimidamide?
N'-hydroxy-3-[2-methoxyethyl(propylsulfamoyl)amino]propanimidamide has a molecular weight of 282.37 g/mol, XLogP of -0.68, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[2-methoxyethyl(propylsulfamoyl)amino]propanimidamide is sourced from PubChem (CID 104978456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).