3-[ethylsulfamoyl(methyl)amino]-N'-hydroxypropanimidamide

C6H16N4O3S — CID 104978253

IUPAC3-[ethylsulfamoyl(methyl)amino]-N'-hydroxypropanimidamide
SMILESCCNS(=O)(=O)N(C)CCC(N)=NO
InChIInChI=1S/C6H16N4O3S/c1-3-8-14(12,13)10(2)5-4-6(7)9-11/h8,11H,3-5H2,1-2H3,(H2,7,9)
InChIKeyPHSFMSINPLTKMN-UHFFFAOYSA-N
MW224.29 g/mol
LogP-1.09
Rot. Bonds6

About 3-[ethylsulfamoyl(methyl)amino]-N'-hydroxypropanimidamide

3-[ethylsulfamoyl(methyl)amino]-N'-hydroxypropanimidamide (PubChem CID 104978253) has the molecular formula C6H16N4O3S and a molecular weight of 224.29 g/mol. Its IUPAC name is 3-[ethylsulfamoyl(methyl)amino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[ethylsulfamoyl(methyl)amino]-N'-hydroxypropanimidamide
PubChem CID104978253
Molecular FormulaC6H16N4O3S
Molecular Weight224.29 g/mol
Exact Mass224.09
IUPAC Name3-[ethylsulfamoyl(methyl)amino]-N'-hydroxypropanimidamide
SMILESCCNS(=O)(=O)N(C)CCC(N)=NO
InChIInChI=1S/C6H16N4O3S/c1-3-8-14(12,13)10(2)5-4-6(7)9-11/h8,11H,3-5H2,1-2H3,(H2,7,9)
InChIKeyPHSFMSINPLTKMN-UHFFFAOYSA-N
XLogP-1.09
TPSA108.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
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-[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 3-[ethylsulfamoyl(methyl)amino]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[ethylsulfamoyl(methyl)amino]-N'-hydroxypropanimidamide (CID 104978253) is 3-[ethylsulfamoyl(methyl)amino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[ethylsulfamoyl(methyl)amino]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[ethylsulfamoyl(methyl)amino]-N'-hydroxypropanimidamide is CCNS(=O)(=O)N(C)CCC(N)=NO.
What is the InChIKey of 3-[ethylsulfamoyl(methyl)amino]-N'-hydroxypropanimidamide?
The InChIKey is PHSFMSINPLTKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N4O3S/c1-3-8-14(12,13)10(2)5-4-6(7)9-11/h8,11H,3-5H2,1-2H3,(H2,7,9).
What are the key properties of 3-[ethylsulfamoyl(methyl)amino]-N'-hydroxypropanimidamide?
3-[ethylsulfamoyl(methyl)amino]-N'-hydroxypropanimidamide has a molecular weight of 224.29 g/mol, XLogP of -1.09, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethylsulfamoyl(methyl)amino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 104978253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).