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

C9H22N4O3S — CID 54993144

IUPAC3-[diethylsulfamoyl(ethyl)amino]-N'-hydroxypropanimidamide
SMILESCCN(CC)S(=O)(=O)N(CC)CC/C(N)=N/O
InChIInChI=1S/C9H22N4O3S/c1-4-12(5-2)17(15,16)13(6-3)8-7-9(10)11-14/h14H,4-8H2,1-3H3,(H2,10,11)
InChIKeyRDLRORIKWJMNKT-UHFFFAOYSA-N
MW266.37 g/mol
LogP0.03
Rot. Bonds8

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

3-[diethylsulfamoyl(ethyl)amino]-N'-hydroxypropanimidamide (PubChem CID 54993144) has the molecular formula C9H22N4O3S and a molecular weight of 266.37 g/mol. Its IUPAC name is 3-[diethylsulfamoyl(ethyl)amino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[diethylsulfamoyl(ethyl)amino]-N'-hydroxypropanimidamide
PubChem CID54993144
Molecular FormulaC9H22N4O3S
Molecular Weight266.37 g/mol
Exact Mass266.14
IUPAC Name3-[diethylsulfamoyl(ethyl)amino]-N'-hydroxypropanimidamide
SMILESCCN(CC)S(=O)(=O)N(CC)CC/C(N)=N/O
InChIInChI=1S/C9H22N4O3S/c1-4-12(5-2)17(15,16)13(6-3)8-7-9(10)11-14/h14H,4-8H2,1-3H3,(H2,10,11)
InChIKeyRDLRORIKWJMNKT-UHFFFAOYSA-N
XLogP0.03
TPSA99.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 50.03
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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Frequently Asked Questions

What is the IUPAC name of 3-[diethylsulfamoyl(ethyl)amino]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[diethylsulfamoyl(ethyl)amino]-N'-hydroxypropanimidamide (CID 54993144) is 3-[diethylsulfamoyl(ethyl)amino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[diethylsulfamoyl(ethyl)amino]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[diethylsulfamoyl(ethyl)amino]-N'-hydroxypropanimidamide is CCN(CC)S(=O)(=O)N(CC)CC/C(N)=N/O.
What is the InChIKey of 3-[diethylsulfamoyl(ethyl)amino]-N'-hydroxypropanimidamide?
The InChIKey is RDLRORIKWJMNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N4O3S/c1-4-12(5-2)17(15,16)13(6-3)8-7-9(10)11-14/h14H,4-8H2,1-3H3,(H2,10,11).
What are the key properties of 3-[diethylsulfamoyl(ethyl)amino]-N'-hydroxypropanimidamide?
3-[diethylsulfamoyl(ethyl)amino]-N'-hydroxypropanimidamide has a molecular weight of 266.37 g/mol, XLogP of 0.03, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[diethylsulfamoyl(ethyl)amino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 54993144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).