3-[dimethylsulfamoyl(ethyl)amino]-N'-hydroxypropanimidamide

C7H18N4O3S — CID 76910450

IUPAC3-[dimethylsulfamoyl(ethyl)amino]-N'-hydroxypropanimidamide
SMILESCCN(CCC(N)=NO)S(=O)(=O)N(C)C
InChIInChI=1S/C7H18N4O3S/c1-4-11(6-5-7(8)9-12)15(13,14)10(2)3/h12H,4-6H2,1-3H3,(H2,8,9)
InChIKeyIIMVLXOFCUFHBN-UHFFFAOYSA-N
MW238.31 g/mol
LogP-0.75
Rot. Bonds6

About 3-[dimethylsulfamoyl(ethyl)amino]-N'-hydroxypropanimidamide

3-[dimethylsulfamoyl(ethyl)amino]-N'-hydroxypropanimidamide (PubChem CID 76910450) has the molecular formula C7H18N4O3S and a molecular weight of 238.31 g/mol. Its IUPAC name is 3-[dimethylsulfamoyl(ethyl)amino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[dimethylsulfamoyl(ethyl)amino]-N'-hydroxypropanimidamide
PubChem CID76910450
Molecular FormulaC7H18N4O3S
Molecular Weight238.31 g/mol
Exact Mass238.11
IUPAC Name3-[dimethylsulfamoyl(ethyl)amino]-N'-hydroxypropanimidamide
SMILESCCN(CCC(N)=NO)S(=O)(=O)N(C)C
InChIInChI=1S/C7H18N4O3S/c1-4-11(6-5-7(8)9-12)15(13,14)10(2)3/h12H,4-6H2,1-3H3,(H2,8,9)
InChIKeyIIMVLXOFCUFHBN-UHFFFAOYSA-N
XLogP-0.75
TPSA99.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
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

3-[ethyl(piperidin-1-ylsulfonyl)amino]-N'-hydroxypropanimidamide
CID 54993145
methyl N-[(3-amino-3-hydroxyiminopropyl)-ethylsulfamoyl]carbamate
CID 104929328
2-[diethylsulfamoyl(ethyl)amino]-N'-hydroxyethanimidamide
CID 76928839
3-[ethyl(2-ethylsulfonylethyl)amino]-N'-hydroxypropanimidamide
CID 76910513
3-[(2-bromophenyl)sulfonyl-ethylamino]-N'-hydroxypropanimidamide
CID 54992954
3-[ethyl-(5-methylthiophen-2-yl)sulfonylamino]-N'-hydroxypropanimidamide
CID 54992517
N'-hydroxy-3-[2-methylpropyl(methylsulfonyl)amino]propanimidamide
CID 76917335
3-[diethylsulfamoyl(methyl)amino]-N'-hydroxybutanimidamide
CID 76987881
3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-ethylamino]-N'-hydroxypropanimidamide
CID 54992468
3-[(2,4-dimethylphenyl)sulfonyl-ethylamino]-N'-hydroxypropanimidamide
CID 76910468
3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-ethylamino]-N'-hydroxypropanimidamide
CID 54992419
2-[ethyl(methylsulfonyl)amino]-N'-hydroxyethanimidamide
CID 76929222

Frequently Asked Questions

What is the IUPAC name of 3-[dimethylsulfamoyl(ethyl)amino]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[dimethylsulfamoyl(ethyl)amino]-N'-hydroxypropanimidamide (CID 76910450) is 3-[dimethylsulfamoyl(ethyl)amino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[dimethylsulfamoyl(ethyl)amino]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[dimethylsulfamoyl(ethyl)amino]-N'-hydroxypropanimidamide is CCN(CCC(N)=NO)S(=O)(=O)N(C)C.
What is the InChIKey of 3-[dimethylsulfamoyl(ethyl)amino]-N'-hydroxypropanimidamide?
The InChIKey is IIMVLXOFCUFHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N4O3S/c1-4-11(6-5-7(8)9-12)15(13,14)10(2)3/h12H,4-6H2,1-3H3,(H2,8,9).
What are the key properties of 3-[dimethylsulfamoyl(ethyl)amino]-N'-hydroxypropanimidamide?
3-[dimethylsulfamoyl(ethyl)amino]-N'-hydroxypropanimidamide has a molecular weight of 238.31 g/mol, XLogP of -0.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dimethylsulfamoyl(ethyl)amino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 76910450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).