N'-hydroxy-2-methyl-3-[methyl(methylsulfamoyl)amino]propanimidamide

C6H16N4O3S — CID 104978360

IUPACN'-hydroxy-2-methyl-3-[methyl(methylsulfamoyl)amino]propanimidamide
SMILESCNS(=O)(=O)N(C)CC(C)C(N)=NO
InChIInChI=1S/C6H16N4O3S/c1-5(6(7)9-11)4-10(3)14(12,13)8-2/h5,8,11H,4H2,1-3H3,(H2,7,9)
InChIKeyXNXMWGWMSJVHOA-UHFFFAOYSA-N
MW224.29 g/mol
LogP-1.24
Rot. Bonds5

About N'-hydroxy-2-methyl-3-[methyl(methylsulfamoyl)amino]propanimidamide

N'-hydroxy-2-methyl-3-[methyl(methylsulfamoyl)amino]propanimidamide (PubChem CID 104978360) has the molecular formula C6H16N4O3S and a molecular weight of 224.29 g/mol. Its IUPAC name is N'-hydroxy-2-methyl-3-[methyl(methylsulfamoyl)amino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methyl-3-[methyl(methylsulfamoyl)amino]propanimidamide
PubChem CID104978360
Molecular FormulaC6H16N4O3S
Molecular Weight224.29 g/mol
Exact Mass224.09
IUPAC NameN'-hydroxy-2-methyl-3-[methyl(methylsulfamoyl)amino]propanimidamide
SMILESCNS(=O)(=O)N(C)CC(C)C(N)=NO
InChIInChI=1S/C6H16N4O3S/c1-5(6(7)9-11)4-10(3)14(12,13)8-2/h5,8,11H,4H2,1-3H3,(H2,7,9)
InChIKeyXNXMWGWMSJVHOA-UHFFFAOYSA-N
XLogP-1.24
TPSA108.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.29
LogP ≤ 5-1.24
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
3-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 104978350
N'-hydroxy-2-methyl-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide
CID 104978363
N'-hydroxy-3-[2-methylpropyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide
CID 104978380
3-[diethylsulfamoyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 54988474
3-[ethyl(pyrrolidin-1-ylsulfonyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 54988569
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(pyrrolidin-1-ylsulfonyl)amino]propanimidamide
CID 54991745
N'-hydroxy-2-methyl-3-[methyl-[methyl(propan-2-yl)sulfamoyl]amino]propanimidamide
CID 54991892
3-[ethyl-[methyl(propan-2-yl)sulfamoyl]amino]-N'-hydroxypropanimidamide
CID 54992758
3-[diethylsulfamoyl(ethyl)amino]-N'-hydroxypropanimidamide
CID 54993144

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-methyl-3-[methyl(methylsulfamoyl)amino]propanimidamide?
The IUPAC name of N'-hydroxy-2-methyl-3-[methyl(methylsulfamoyl)amino]propanimidamide (CID 104978360) is N'-hydroxy-2-methyl-3-[methyl(methylsulfamoyl)amino]propanimidamide.
What is the SMILES notation for N'-hydroxy-2-methyl-3-[methyl(methylsulfamoyl)amino]propanimidamide?
The canonical SMILES for N'-hydroxy-2-methyl-3-[methyl(methylsulfamoyl)amino]propanimidamide is CNS(=O)(=O)N(C)CC(C)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-methyl-3-[methyl(methylsulfamoyl)amino]propanimidamide?
The InChIKey is XNXMWGWMSJVHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N4O3S/c1-5(6(7)9-11)4-10(3)14(12,13)8-2/h5,8,11H,4H2,1-3H3,(H2,7,9).
What are the key properties of N'-hydroxy-2-methyl-3-[methyl(methylsulfamoyl)amino]propanimidamide?
N'-hydroxy-2-methyl-3-[methyl(methylsulfamoyl)amino]propanimidamide has a molecular weight of 224.29 g/mol, XLogP of -1.24, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methyl-3-[methyl(methylsulfamoyl)amino]propanimidamide is sourced from PubChem (CID 104978360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).