3-[ethyl(2-methylsulfonylethyl)amino]-N'-hydroxy-2-methylpropanimidamide

C9H21N3O3S — CID 76910358

IUPAC3-[ethyl(2-methylsulfonylethyl)amino]-N'-hydroxy-2-methylpropanimidamide
SMILESCCN(CCS(C)(=O)=O)CC(C)C(N)=NO
InChIInChI=1S/C9H21N3O3S/c1-4-12(5-6-16(3,14)15)7-8(2)9(10)11-13/h8,13H,4-7H2,1-3H3,(H2,10,11)
InChIKeyULCKQOYUMFKZIQ-UHFFFAOYSA-N
MW251.35 g/mol
LogP-0.26
Rot. Bonds7

About 3-[ethyl(2-methylsulfonylethyl)amino]-N'-hydroxy-2-methylpropanimidamide

3-[ethyl(2-methylsulfonylethyl)amino]-N'-hydroxy-2-methylpropanimidamide (PubChem CID 76910358) has the molecular formula C9H21N3O3S and a molecular weight of 251.35 g/mol. Its IUPAC name is 3-[ethyl(2-methylsulfonylethyl)amino]-N'-hydroxy-2-methylpropanimidamide.

Molecular Properties

Compound Name3-[ethyl(2-methylsulfonylethyl)amino]-N'-hydroxy-2-methylpropanimidamide
PubChem CID76910358
Molecular FormulaC9H21N3O3S
Molecular Weight251.35 g/mol
Exact Mass251.13
IUPAC Name3-[ethyl(2-methylsulfonylethyl)amino]-N'-hydroxy-2-methylpropanimidamide
SMILESCCN(CCS(C)(=O)=O)CC(C)C(N)=NO
InChIInChI=1S/C9H21N3O3S/c1-4-12(5-6-16(3,14)15)7-8(2)9(10)11-13/h8,13H,4-7H2,1-3H3,(H2,10,11)
InChIKeyULCKQOYUMFKZIQ-UHFFFAOYSA-N
XLogP-0.26
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[ethyl(2-methylsulfonylethyl)amino]-N'-hydroxy-2-methylpropanimidamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(2-methylsulfonylethyl)amino]-N'-hydroxy-2-methylpropanimidamide?
The IUPAC name of 3-[ethyl(2-methylsulfonylethyl)amino]-N'-hydroxy-2-methylpropanimidamide (CID 76910358) is 3-[ethyl(2-methylsulfonylethyl)amino]-N'-hydroxy-2-methylpropanimidamide.
What is the SMILES notation for 3-[ethyl(2-methylsulfonylethyl)amino]-N'-hydroxy-2-methylpropanimidamide?
The canonical SMILES for 3-[ethyl(2-methylsulfonylethyl)amino]-N'-hydroxy-2-methylpropanimidamide is CCN(CCS(C)(=O)=O)CC(C)C(N)=NO.
What is the InChIKey of 3-[ethyl(2-methylsulfonylethyl)amino]-N'-hydroxy-2-methylpropanimidamide?
The InChIKey is ULCKQOYUMFKZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O3S/c1-4-12(5-6-16(3,14)15)7-8(2)9(10)11-13/h8,13H,4-7H2,1-3H3,(H2,10,11).
What are the key properties of 3-[ethyl(2-methylsulfonylethyl)amino]-N'-hydroxy-2-methylpropanimidamide?
3-[ethyl(2-methylsulfonylethyl)amino]-N'-hydroxy-2-methylpropanimidamide has a molecular weight of 251.35 g/mol, XLogP of -0.26, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(2-methylsulfonylethyl)amino]-N'-hydroxy-2-methylpropanimidamide is sourced from PubChem (CID 76910358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).