3-[diethylsulfamoyl(propan-2-yl)amino]-N'-hydroxypropanimidamide

C10H24N4O3S — CID 54996531

IUPAC3-[diethylsulfamoyl(propan-2-yl)amino]-N'-hydroxypropanimidamide
SMILESCCN(CC)S(=O)(=O)N(CC/C(=N/O)/N)C(C)C
InChIInChI=1S/C10H24N4O3S/c1-5-13(6-2)18(16,17)14(9(3)4)8-7-10(11)12-15/h9,15H,5-8H2,1-4H3,(H2,11,12)
InChIKeyPIJRFRGDGVBYTC-UHFFFAOYSA-N
MW280.39 g/mol
LogP0.10
Rot. Bonds8

About 3-[diethylsulfamoyl(propan-2-yl)amino]-N'-hydroxypropanimidamide

3-[diethylsulfamoyl(propan-2-yl)amino]-N'-hydroxypropanimidamide (PubChem CID 54996531) has the molecular formula C10H24N4O3S and a molecular weight of 280.39 g/mol. Its IUPAC name is 3-[diethylsulfamoyl(propan-2-yl)amino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[diethylsulfamoyl(propan-2-yl)amino]-N'-hydroxypropanimidamide
PubChem CID54996531
Molecular FormulaC10H24N4O3S
Molecular Weight280.39 g/mol
Exact Mass280.16
IUPAC Name3-[diethylsulfamoyl(propan-2-yl)amino]-N'-hydroxypropanimidamide
SMILESCCN(CC)S(=O)(=O)N(CC/C(=N/O)/N)C(C)C
InChIInChI=1S/C10H24N4O3S/c1-5-13(6-2)18(16,17)14(9(3)4)8-7-10(11)12-15/h9,15H,5-8H2,1-4H3,(H2,11,12)
InChIKeyPIJRFRGDGVBYTC-UHFFFAOYSA-N
XLogP0.10
TPSA108.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity358

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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'}

Analyze 3-[diethylsulfamoyl(propan-2-yl)amino]-N'-hydroxypropanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-hydroxy-3-[propan-2-yl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide
CID 104978369
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-(2-methylpiperidin-1-yl)sulfonylamino]-N'-hydroxypropanimidamide
CID 54992516
3-[ethyl-[methyl(propan-2-yl)sulfamoyl]amino]-N'-hydroxypropanimidamide
CID 54992758
3-[diethylsulfamoyl(ethyl)amino]-N'-hydroxypropanimidamide
CID 54993144
N'-hydroxy-3-[piperidin-1-ylsulfonyl(propan-2-yl)amino]propanimidamide
CID 54996578
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

Frequently Asked Questions

What is the IUPAC name of 3-[diethylsulfamoyl(propan-2-yl)amino]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[diethylsulfamoyl(propan-2-yl)amino]-N'-hydroxypropanimidamide (CID 54996531) is 3-[diethylsulfamoyl(propan-2-yl)amino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[diethylsulfamoyl(propan-2-yl)amino]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[diethylsulfamoyl(propan-2-yl)amino]-N'-hydroxypropanimidamide is CCN(CC)S(=O)(=O)N(CC/C(=N/O)/N)C(C)C.
What is the InChIKey of 3-[diethylsulfamoyl(propan-2-yl)amino]-N'-hydroxypropanimidamide?
The InChIKey is PIJRFRGDGVBYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N4O3S/c1-5-13(6-2)18(16,17)14(9(3)4)8-7-10(11)12-15/h9,15H,5-8H2,1-4H3,(H2,11,12).
What are the key properties of 3-[diethylsulfamoyl(propan-2-yl)amino]-N'-hydroxypropanimidamide?
3-[diethylsulfamoyl(propan-2-yl)amino]-N'-hydroxypropanimidamide has a molecular weight of 280.39 g/mol, XLogP of 0.10, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[diethylsulfamoyl(propan-2-yl)amino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 54996531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).