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

C10H24N4O3S — CID 54988818

IUPAC3-[ethyl-[methyl(propan-2-yl)sulfamoyl]amino]-N'-hydroxy-2-methylpropanimidamide
SMILESCCN(CC(C)/C(N)=N/O)S(=O)(=O)N(C)C(C)C
InChIInChI=1S/C10H24N4O3S/c1-6-14(7-9(4)10(11)12-15)18(16,17)13(5)8(2)3/h8-9,15H,6-7H2,1-5H3,(H2,11,12)
InChIKeyWXLOLWJXBKQDAW-UHFFFAOYSA-N
MW280.39 g/mol
LogP0.28
Rot. Bonds7

About 3-[ethyl-[methyl(propan-2-yl)sulfamoyl]amino]-N'-hydroxy-2-methylpropanimidamide

3-[ethyl-[methyl(propan-2-yl)sulfamoyl]amino]-N'-hydroxy-2-methylpropanimidamide (PubChem CID 54988818) has the molecular formula C10H24N4O3S and a molecular weight of 280.39 g/mol. Its IUPAC name is 3-[ethyl-[methyl(propan-2-yl)sulfamoyl]amino]-N'-hydroxy-2-methylpropanimidamide.

Molecular Properties

Compound Name3-[ethyl-[methyl(propan-2-yl)sulfamoyl]amino]-N'-hydroxy-2-methylpropanimidamide
PubChem CID54988818
Molecular FormulaC10H24N4O3S
Molecular Weight280.39 g/mol
Exact Mass280.16
IUPAC Name3-[ethyl-[methyl(propan-2-yl)sulfamoyl]amino]-N'-hydroxy-2-methylpropanimidamide
SMILESCCN(CC(C)/C(N)=N/O)S(=O)(=O)N(C)C(C)C
InChIInChI=1S/C10H24N4O3S/c1-6-14(7-9(4)10(11)12-15)18(16,17)13(5)8(2)3/h8-9,15H,6-7H2,1-5H3,(H2,11,12)
InChIKeyWXLOLWJXBKQDAW-UHFFFAOYSA-N
XLogP0.28
TPSA99.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 50.28
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-[ethyl-[methyl(propan-2-yl)sulfamoyl]amino]-N'-hydroxy-2-methylpropanimidamide?
The IUPAC name of 3-[ethyl-[methyl(propan-2-yl)sulfamoyl]amino]-N'-hydroxy-2-methylpropanimidamide (CID 54988818) is 3-[ethyl-[methyl(propan-2-yl)sulfamoyl]amino]-N'-hydroxy-2-methylpropanimidamide.
What is the SMILES notation for 3-[ethyl-[methyl(propan-2-yl)sulfamoyl]amino]-N'-hydroxy-2-methylpropanimidamide?
The canonical SMILES for 3-[ethyl-[methyl(propan-2-yl)sulfamoyl]amino]-N'-hydroxy-2-methylpropanimidamide is CCN(CC(C)/C(N)=N/O)S(=O)(=O)N(C)C(C)C.
What is the InChIKey of 3-[ethyl-[methyl(propan-2-yl)sulfamoyl]amino]-N'-hydroxy-2-methylpropanimidamide?
The InChIKey is WXLOLWJXBKQDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N4O3S/c1-6-14(7-9(4)10(11)12-15)18(16,17)13(5)8(2)3/h8-9,15H,6-7H2,1-5H3,(H2,11,12).
What are the key properties of 3-[ethyl-[methyl(propan-2-yl)sulfamoyl]amino]-N'-hydroxy-2-methylpropanimidamide?
3-[ethyl-[methyl(propan-2-yl)sulfamoyl]amino]-N'-hydroxy-2-methylpropanimidamide has a molecular weight of 280.39 g/mol, XLogP of 0.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[methyl(propan-2-yl)sulfamoyl]amino]-N'-hydroxy-2-methylpropanimidamide is sourced from PubChem (CID 54988818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).