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

C5H14N4O3S — CID 104978249

IUPACN'-hydroxy-3-[methyl(methylsulfamoyl)amino]propanimidamide
SMILESCNS(=O)(=O)N(C)CCC(N)=NO
InChIInChI=1S/C5H14N4O3S/c1-7-13(11,12)9(2)4-3-5(6)8-10/h7,10H,3-4H2,1-2H3,(H2,6,8)
InChIKeyOZMWDKCGEXBNIL-UHFFFAOYSA-N
MW210.26 g/mol
LogP-1.48
Rot. Bonds5

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

N'-hydroxy-3-[methyl(methylsulfamoyl)amino]propanimidamide (PubChem CID 104978249) has the molecular formula C5H14N4O3S and a molecular weight of 210.26 g/mol. Its IUPAC name is N'-hydroxy-3-[methyl(methylsulfamoyl)amino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[methyl(methylsulfamoyl)amino]propanimidamide
PubChem CID104978249
Molecular FormulaC5H14N4O3S
Molecular Weight210.26 g/mol
Exact Mass210.08
IUPAC NameN'-hydroxy-3-[methyl(methylsulfamoyl)amino]propanimidamide
SMILESCNS(=O)(=O)N(C)CCC(N)=NO
InChIInChI=1S/C5H14N4O3S/c1-7-13(11,12)9(2)4-3-5(6)8-10/h7,10H,3-4H2,1-2H3,(H2,6,8)
InChIKeyOZMWDKCGEXBNIL-UHFFFAOYSA-N
XLogP-1.48
TPSA108.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 5-1.48
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
N'-hydroxy-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]butanimidamide
CID 104978450
3-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-N'-hydroxypropanimidamide
CID 113637617
3-[diethylsulfamoyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 54988474
3-[diethylsulfamoyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 54991646
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
N'-hydroxy-3-[methyl-[methyl(propan-2-yl)sulfamoyl]amino]propanimidamide
CID 61453563
N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]propanimidamide
CID 61453639

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[methyl(methylsulfamoyl)amino]propanimidamide?
The IUPAC name of N'-hydroxy-3-[methyl(methylsulfamoyl)amino]propanimidamide (CID 104978249) is N'-hydroxy-3-[methyl(methylsulfamoyl)amino]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[methyl(methylsulfamoyl)amino]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[methyl(methylsulfamoyl)amino]propanimidamide is CNS(=O)(=O)N(C)CCC(N)=NO.
What is the InChIKey of N'-hydroxy-3-[methyl(methylsulfamoyl)amino]propanimidamide?
The InChIKey is OZMWDKCGEXBNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N4O3S/c1-7-13(11,12)9(2)4-3-5(6)8-10/h7,10H,3-4H2,1-2H3,(H2,6,8).
What are the key properties of N'-hydroxy-3-[methyl(methylsulfamoyl)amino]propanimidamide?
N'-hydroxy-3-[methyl(methylsulfamoyl)amino]propanimidamide has a molecular weight of 210.26 g/mol, XLogP of -1.48, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[methyl(methylsulfamoyl)amino]propanimidamide is sourced from PubChem (CID 104978249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).