2-ethyl-N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanimidamide

C10H24N4O3S — CID 54947254

IUPAC2-ethyl-N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanimidamide
SMILESCCC(CC)(NS(=O)(=O)N(C)C(C)C)C(N)=NO
InChIInChI=1S/C10H24N4O3S/c1-6-10(7-2,9(11)12-15)13-18(16,17)14(5)8(3)4/h8,13,15H,6-7H2,1-5H3,(H2,11,12)
InChIKeyJQYXTAYRYDNIGZ-UHFFFAOYSA-N
MW280.39 g/mol
LogP0.47
Rot. Bonds7

About 2-ethyl-N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanimidamide

2-ethyl-N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanimidamide (PubChem CID 54947254) has the molecular formula C10H24N4O3S and a molecular weight of 280.39 g/mol. Its IUPAC name is 2-ethyl-N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanimidamide.

Molecular Properties

Compound Name2-ethyl-N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanimidamide
PubChem CID54947254
Molecular FormulaC10H24N4O3S
Molecular Weight280.39 g/mol
Exact Mass280.16
IUPAC Name2-ethyl-N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanimidamide
SMILESCCC(CC)(NS(=O)(=O)N(C)C(C)C)C(N)=NO
InChIInChI=1S/C10H24N4O3S/c1-6-10(7-2,9(11)12-15)13-18(16,17)14(5)8(3)4/h8,13,15H,6-7H2,1-5H3,(H2,11,12)
InChIKeyJQYXTAYRYDNIGZ-UHFFFAOYSA-N
XLogP0.47
TPSA108.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 50.47
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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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanimidamide?
The IUPAC name of 2-ethyl-N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanimidamide (CID 54947254) is 2-ethyl-N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanimidamide.
What is the SMILES notation for 2-ethyl-N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanimidamide?
The canonical SMILES for 2-ethyl-N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanimidamide is CCC(CC)(NS(=O)(=O)N(C)C(C)C)C(N)=NO.
What is the InChIKey of 2-ethyl-N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanimidamide?
The InChIKey is JQYXTAYRYDNIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N4O3S/c1-6-10(7-2,9(11)12-15)13-18(16,17)14(5)8(3)4/h8,13,15H,6-7H2,1-5H3,(H2,11,12).
What are the key properties of 2-ethyl-N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanimidamide?
2-ethyl-N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanimidamide has a molecular weight of 280.39 g/mol, XLogP of 0.47, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanimidamide is sourced from PubChem (CID 54947254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).