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

C8H19N3O5S2 — CID 82843072

IUPAC3-[ethyl(methylsulfonylmethylsulfonyl)amino]-N'-hydroxy-2-methylpropanimidamide
SMILESCCN(CC(C)C(N)=NO)S(=O)(=O)CS(C)(=O)=O
InChIInChI=1S/C8H19N3O5S2/c1-4-11(5-7(2)8(9)10-12)18(15,16)6-17(3,13)14/h7,12H,4-6H2,1-3H3,(H2,9,10)
InChIKeyZAPIMBNSSQHBPG-UHFFFAOYSA-N
MW301.39 g/mol
LogP-0.98
Rot. Bonds7

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

3-[ethyl(methylsulfonylmethylsulfonyl)amino]-N'-hydroxy-2-methylpropanimidamide (PubChem CID 82843072) has the molecular formula C8H19N3O5S2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 3-[ethyl(methylsulfonylmethylsulfonyl)amino]-N'-hydroxy-2-methylpropanimidamide.

Molecular Properties

Compound Name3-[ethyl(methylsulfonylmethylsulfonyl)amino]-N'-hydroxy-2-methylpropanimidamide
PubChem CID82843072
Molecular FormulaC8H19N3O5S2
Molecular Weight301.39 g/mol
Exact Mass301.08
IUPAC Name3-[ethyl(methylsulfonylmethylsulfonyl)amino]-N'-hydroxy-2-methylpropanimidamide
SMILESCCN(CC(C)C(N)=NO)S(=O)(=O)CS(C)(=O)=O
InChIInChI=1S/C8H19N3O5S2/c1-4-11(5-7(2)8(9)10-12)18(15,16)6-17(3,13)14/h7,12H,4-6H2,1-3H3,(H2,9,10)
InChIKeyZAPIMBNSSQHBPG-UHFFFAOYSA-N
XLogP-0.98
TPSA130.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 5-0.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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Related Compounds

3-[ethyl(methylsulfonylmethylsulfonyl)amino]-2-methylpropanoic acid
CID 82838542
3-[ethyl(4,4,4-trifluorobutylsulfonyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 83058533
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-2-methylsulfonylacetamide
CID 77015078
ethyl N-[(3-amino-3-hydroxyimino-2-methylpropyl)-ethylsulfamoyl]carbamate
CID 104929326
N'-hydroxy-2-methyl-3-[methyl(methylsulfonyl)amino]propanimidamide
CID 76910929
3-[(4-bromophenyl)sulfonyl-ethylamino]-N'-hydroxy-2-methylpropanimidamide
CID 76910755
3-[(3-chlorophenyl)sulfonyl-ethylamino]-N'-hydroxy-2-methylpropanimidamide
CID 76910621
3-[(2,5-dichlorophenyl)sulfonyl-ethylamino]-N'-hydroxy-2-methylpropanimidamide
CID 76910660
3-[ethyl-(3-methylpiperidin-1-yl)sulfonylamino]-N'-hydroxy-2-methylpropanimidamide
CID 76910645
3-[ethyl-(5-fluoro-2-methylphenyl)sulfonylamino]-N'-hydroxy-2-methylpropanimidamide
CID 76910673
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-4-methylpentanamide
CID 54987486
3-[diethylsulfamoyl(methyl)amino]-N'-hydroxybutanimidamide
CID 76987881

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(methylsulfonylmethylsulfonyl)amino]-N'-hydroxy-2-methylpropanimidamide?
The IUPAC name of 3-[ethyl(methylsulfonylmethylsulfonyl)amino]-N'-hydroxy-2-methylpropanimidamide (CID 82843072) is 3-[ethyl(methylsulfonylmethylsulfonyl)amino]-N'-hydroxy-2-methylpropanimidamide.
What is the SMILES notation for 3-[ethyl(methylsulfonylmethylsulfonyl)amino]-N'-hydroxy-2-methylpropanimidamide?
The canonical SMILES for 3-[ethyl(methylsulfonylmethylsulfonyl)amino]-N'-hydroxy-2-methylpropanimidamide is CCN(CC(C)C(N)=NO)S(=O)(=O)CS(C)(=O)=O.
What is the InChIKey of 3-[ethyl(methylsulfonylmethylsulfonyl)amino]-N'-hydroxy-2-methylpropanimidamide?
The InChIKey is ZAPIMBNSSQHBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O5S2/c1-4-11(5-7(2)8(9)10-12)18(15,16)6-17(3,13)14/h7,12H,4-6H2,1-3H3,(H2,9,10).
What are the key properties of 3-[ethyl(methylsulfonylmethylsulfonyl)amino]-N'-hydroxy-2-methylpropanimidamide?
3-[ethyl(methylsulfonylmethylsulfonyl)amino]-N'-hydroxy-2-methylpropanimidamide has a molecular weight of 301.39 g/mol, XLogP of -0.98, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(methylsulfonylmethylsulfonyl)amino]-N'-hydroxy-2-methylpropanimidamide is sourced from PubChem (CID 82843072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).