2-[diethylsulfamoyl(propyl)amino]-N'-hydroxyethanimidamide

C9H22N4O3S — CID 76927501

IUPAC2-[diethylsulfamoyl(propyl)amino]-N'-hydroxyethanimidamide
SMILESCCCN(CC(N)=NO)S(=O)(=O)N(CC)CC
InChIInChI=1S/C9H22N4O3S/c1-4-7-13(8-9(10)11-14)17(15,16)12(5-2)6-3/h14H,4-8H2,1-3H3,(H2,10,11)
InChIKeyYIXYTEYTPZNYJE-UHFFFAOYSA-N
MW266.37 g/mol
LogP0.03
Rot. Bonds8

About 2-[diethylsulfamoyl(propyl)amino]-N'-hydroxyethanimidamide

2-[diethylsulfamoyl(propyl)amino]-N'-hydroxyethanimidamide (PubChem CID 76927501) has the molecular formula C9H22N4O3S and a molecular weight of 266.37 g/mol. Its IUPAC name is 2-[diethylsulfamoyl(propyl)amino]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[diethylsulfamoyl(propyl)amino]-N'-hydroxyethanimidamide
PubChem CID76927501
Molecular FormulaC9H22N4O3S
Molecular Weight266.37 g/mol
Exact Mass266.14
IUPAC Name2-[diethylsulfamoyl(propyl)amino]-N'-hydroxyethanimidamide
SMILESCCCN(CC(N)=NO)S(=O)(=O)N(CC)CC
InChIInChI=1S/C9H22N4O3S/c1-4-7-13(8-9(10)11-14)17(15,16)12(5-2)6-3/h14H,4-8H2,1-3H3,(H2,10,11)
InChIKeyYIXYTEYTPZNYJE-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 2-[diethylsulfamoyl(propyl)amino]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[diethylsulfamoyl(propyl)amino]-N'-hydroxyethanimidamide (CID 76927501) is 2-[diethylsulfamoyl(propyl)amino]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[diethylsulfamoyl(propyl)amino]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[diethylsulfamoyl(propyl)amino]-N'-hydroxyethanimidamide is CCCN(CC(N)=NO)S(=O)(=O)N(CC)CC.
What is the InChIKey of 2-[diethylsulfamoyl(propyl)amino]-N'-hydroxyethanimidamide?
The InChIKey is YIXYTEYTPZNYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N4O3S/c1-4-7-13(8-9(10)11-14)17(15,16)12(5-2)6-3/h14H,4-8H2,1-3H3,(H2,10,11).
What are the key properties of 2-[diethylsulfamoyl(propyl)amino]-N'-hydroxyethanimidamide?
2-[diethylsulfamoyl(propyl)amino]-N'-hydroxyethanimidamide 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 2-[diethylsulfamoyl(propyl)amino]-N'-hydroxyethanimidamide is sourced from PubChem (CID 76927501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).