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

C7H15F2N3O3S — CID 76910766

IUPAC3-[difluoromethylsulfonyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide
SMILESCCN(CC(C)C(N)=NO)S(=O)(=O)C(F)F
InChIInChI=1S/C7H15F2N3O3S/c1-3-12(16(14,15)7(8)9)4-5(2)6(10)11-13/h5,7,13H,3-4H2,1-2H3,(H2,10,11)
InChIKeyZXHYLDPZSAQLNA-UHFFFAOYSA-N
MW259.28 g/mol
LogP0.24
Rot. Bonds6

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

3-[difluoromethylsulfonyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide (PubChem CID 76910766) has the molecular formula C7H15F2N3O3S and a molecular weight of 259.28 g/mol. Its IUPAC name is 3-[difluoromethylsulfonyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide.

Molecular Properties

Compound Name3-[difluoromethylsulfonyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide
PubChem CID76910766
Molecular FormulaC7H15F2N3O3S
Molecular Weight259.28 g/mol
Exact Mass259.08
IUPAC Name3-[difluoromethylsulfonyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide
SMILESCCN(CC(C)C(N)=NO)S(=O)(=O)C(F)F
InChIInChI=1S/C7H15F2N3O3S/c1-3-12(16(14,15)7(8)9)4-5(2)6(10)11-13/h5,7,13H,3-4H2,1-2H3,(H2,10,11)
InChIKeyZXHYLDPZSAQLNA-UHFFFAOYSA-N
XLogP0.24
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 50.24
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-[difluoromethylsulfonyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide?
The IUPAC name of 3-[difluoromethylsulfonyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide (CID 76910766) is 3-[difluoromethylsulfonyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide.
What is the SMILES notation for 3-[difluoromethylsulfonyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide?
The canonical SMILES for 3-[difluoromethylsulfonyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide is CCN(CC(C)C(N)=NO)S(=O)(=O)C(F)F.
What is the InChIKey of 3-[difluoromethylsulfonyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide?
The InChIKey is ZXHYLDPZSAQLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F2N3O3S/c1-3-12(16(14,15)7(8)9)4-5(2)6(10)11-13/h5,7,13H,3-4H2,1-2H3,(H2,10,11).
What are the key properties of 3-[difluoromethylsulfonyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide?
3-[difluoromethylsulfonyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide has a molecular weight of 259.28 g/mol, XLogP of 0.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[difluoromethylsulfonyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide is sourced from PubChem (CID 76910766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).