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

C6H16N4O3S — CID 104978448

IUPACN'-hydroxy-3-[methyl(methylsulfamoyl)amino]butanimidamide
SMILESCNS(=O)(=O)N(C)C(C)CC(N)=NO
InChIInChI=1S/C6H16N4O3S/c1-5(4-6(7)9-11)10(3)14(12,13)8-2/h5,8,11H,4H2,1-3H3,(H2,7,9)
InChIKeyKITIKTYXJYGTCD-UHFFFAOYSA-N
MW224.29 g/mol
LogP-1.09
Rot. Bonds5

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

N'-hydroxy-3-[methyl(methylsulfamoyl)amino]butanimidamide (PubChem CID 104978448) has the molecular formula C6H16N4O3S and a molecular weight of 224.29 g/mol. Its IUPAC name is N'-hydroxy-3-[methyl(methylsulfamoyl)amino]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[methyl(methylsulfamoyl)amino]butanimidamide
PubChem CID104978448
Molecular FormulaC6H16N4O3S
Molecular Weight224.29 g/mol
Exact Mass224.09
IUPAC NameN'-hydroxy-3-[methyl(methylsulfamoyl)amino]butanimidamide
SMILESCNS(=O)(=O)N(C)C(C)CC(N)=NO
InChIInChI=1S/C6H16N4O3S/c1-5(4-6(7)9-11)10(3)14(12,13)8-2/h5,8,11H,4H2,1-3H3,(H2,7,9)
InChIKeyKITIKTYXJYGTCD-UHFFFAOYSA-N
XLogP-1.09
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 ≤ 5-1.09
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-[propan-2-yl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide
CID 104978369
N'-hydroxy-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]butanimidamide
CID 104978450
N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]pentanimidamide
CID 54947205
3-[ethyl-[methyl(propan-2-yl)sulfamoyl]amino]-N'-hydroxy-2-methylpropanimidamide
CID 54988818
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
3-[diethylsulfamoyl(propan-2-yl)amino]-N'-hydroxypropanimidamide
CID 54996531
N'-hydroxy-3-[propan-2-yl(pyrrolidin-1-ylsulfonyl)amino]propanimidamide
CID 54996580
N'-hydroxy-3-[[methyl(propan-2-yl)sulfamoyl]-propan-2-ylamino]propanimidamide
CID 54996963
3-[cyclopropyl-[methyl(propan-2-yl)sulfamoyl]amino]-N'-hydroxypropanimidamide
CID 54997208
3-[cyclopropyl(diethylsulfamoyl)amino]-N'-hydroxypropanimidamide
CID 54997598

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[methyl(methylsulfamoyl)amino]butanimidamide?
The IUPAC name of N'-hydroxy-3-[methyl(methylsulfamoyl)amino]butanimidamide (CID 104978448) is N'-hydroxy-3-[methyl(methylsulfamoyl)amino]butanimidamide.
What is the SMILES notation for N'-hydroxy-3-[methyl(methylsulfamoyl)amino]butanimidamide?
The canonical SMILES for N'-hydroxy-3-[methyl(methylsulfamoyl)amino]butanimidamide is CNS(=O)(=O)N(C)C(C)CC(N)=NO.
What is the InChIKey of N'-hydroxy-3-[methyl(methylsulfamoyl)amino]butanimidamide?
The InChIKey is KITIKTYXJYGTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N4O3S/c1-5(4-6(7)9-11)10(3)14(12,13)8-2/h5,8,11H,4H2,1-3H3,(H2,7,9).
What are the key properties of N'-hydroxy-3-[methyl(methylsulfamoyl)amino]butanimidamide?
N'-hydroxy-3-[methyl(methylsulfamoyl)amino]butanimidamide has a molecular weight of 224.29 g/mol, XLogP of -1.09, 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]butanimidamide is sourced from PubChem (CID 104978448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).