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

C7H18N4O3S — CID 104978251

IUPACN'-hydroxy-3-[methyl(propylsulfamoyl)amino]propanimidamide
SMILESCCCNS(=O)(=O)N(C)CCC(N)=NO
InChIInChI=1S/C7H18N4O3S/c1-3-5-9-15(13,14)11(2)6-4-7(8)10-12/h9,12H,3-6H2,1-2H3,(H2,8,10)
InChIKeyXKJRTKUHDLLOTN-UHFFFAOYSA-N
MW238.31 g/mol
LogP-0.70
Rot. Bonds7

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

N'-hydroxy-3-[methyl(propylsulfamoyl)amino]propanimidamide (PubChem CID 104978251) has the molecular formula C7H18N4O3S and a molecular weight of 238.31 g/mol. Its IUPAC name is N'-hydroxy-3-[methyl(propylsulfamoyl)amino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[methyl(propylsulfamoyl)amino]propanimidamide
PubChem CID104978251
Molecular FormulaC7H18N4O3S
Molecular Weight238.31 g/mol
Exact Mass238.11
IUPAC NameN'-hydroxy-3-[methyl(propylsulfamoyl)amino]propanimidamide
SMILESCCCNS(=O)(=O)N(C)CCC(N)=NO
InChIInChI=1S/C7H18N4O3S/c1-3-5-9-15(13,14)11(2)6-4-7(8)10-12/h9,12H,3-6H2,1-2H3,(H2,8,10)
InChIKeyXKJRTKUHDLLOTN-UHFFFAOYSA-N
XLogP-0.70
TPSA108.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 5-0.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

N'-hydroxy-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide
CID 104978252
N'-hydroxy-2-methyl-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide
CID 104978363
3-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-N'-hydroxypropanimidamide
CID 113637617
3-[diethylsulfamoyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 54988474
3-[ethyl-[methyl(propan-2-yl)sulfamoyl]amino]-N'-hydroxy-2-methylpropanimidamide
CID 54988818
3-[diethylsulfamoyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 54991646
N'-hydroxy-2-methyl-3-[methyl-[methyl(propan-2-yl)sulfamoyl]amino]propanimidamide
CID 54991892
3-[ethyl(pyrrolidin-1-ylsulfonyl)amino]-N'-hydroxypropanimidamide
CID 54992418
3-[ethyl-[methyl(propan-2-yl)sulfamoyl]amino]-N'-hydroxypropanimidamide
CID 54992758
3-[diethylsulfamoyl(ethyl)amino]-N'-hydroxypropanimidamide
CID 54993144
3-[diethylsulfamoyl(propan-2-yl)amino]-N'-hydroxypropanimidamide
CID 54996531
N'-hydroxy-3-[[methyl(propan-2-yl)sulfamoyl]-propan-2-ylamino]propanimidamide
CID 54996963

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[methyl(propylsulfamoyl)amino]propanimidamide?
The IUPAC name of N'-hydroxy-3-[methyl(propylsulfamoyl)amino]propanimidamide (CID 104978251) is N'-hydroxy-3-[methyl(propylsulfamoyl)amino]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[methyl(propylsulfamoyl)amino]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[methyl(propylsulfamoyl)amino]propanimidamide is CCCNS(=O)(=O)N(C)CCC(N)=NO.
What is the InChIKey of N'-hydroxy-3-[methyl(propylsulfamoyl)amino]propanimidamide?
The InChIKey is XKJRTKUHDLLOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N4O3S/c1-3-5-9-15(13,14)11(2)6-4-7(8)10-12/h9,12H,3-6H2,1-2H3,(H2,8,10).
What are the key properties of N'-hydroxy-3-[methyl(propylsulfamoyl)amino]propanimidamide?
N'-hydroxy-3-[methyl(propylsulfamoyl)amino]propanimidamide has a molecular weight of 238.31 g/mol, XLogP of -0.70, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[methyl(propylsulfamoyl)amino]propanimidamide is sourced from PubChem (CID 104978251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).