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

C6H13F2N3O3S — CID 76910935

IUPAC3-[difluoromethylsulfonyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide
SMILESCC(CN(C)S(=O)(=O)C(F)F)C(N)=NO
InChIInChI=1S/C6H13F2N3O3S/c1-4(5(9)10-12)3-11(2)15(13,14)6(7)8/h4,6,12H,3H2,1-2H3,(H2,9,10)
InChIKeyXTKDAAINTKMPIK-UHFFFAOYSA-N
MW245.25 g/mol
LogP-0.15
Rot. Bonds5

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

3-[difluoromethylsulfonyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide (PubChem CID 76910935) has the molecular formula C6H13F2N3O3S and a molecular weight of 245.25 g/mol. Its IUPAC name is 3-[difluoromethylsulfonyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide.

Molecular Properties

Compound Name3-[difluoromethylsulfonyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide
PubChem CID76910935
Molecular FormulaC6H13F2N3O3S
Molecular Weight245.25 g/mol
Exact Mass245.06
IUPAC Name3-[difluoromethylsulfonyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide
SMILESCC(CN(C)S(=O)(=O)C(F)F)C(N)=NO
InChIInChI=1S/C6H13F2N3O3S/c1-4(5(9)10-12)3-11(2)15(13,14)6(7)8/h4,6,12H,3H2,1-2H3,(H2,9,10)
InChIKeyXTKDAAINTKMPIK-UHFFFAOYSA-N
XLogP-0.15
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 5-0.15
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(methyl)amino]-N'-hydroxy-2-methylpropanimidamide?
The IUPAC name of 3-[difluoromethylsulfonyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide (CID 76910935) is 3-[difluoromethylsulfonyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide.
What is the SMILES notation for 3-[difluoromethylsulfonyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide?
The canonical SMILES for 3-[difluoromethylsulfonyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide is CC(CN(C)S(=O)(=O)C(F)F)C(N)=NO.
What is the InChIKey of 3-[difluoromethylsulfonyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide?
The InChIKey is XTKDAAINTKMPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F2N3O3S/c1-4(5(9)10-12)3-11(2)15(13,14)6(7)8/h4,6,12H,3H2,1-2H3,(H2,9,10).
What are the key properties of 3-[difluoromethylsulfonyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide?
3-[difluoromethylsulfonyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide has a molecular weight of 245.25 g/mol, XLogP of -0.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[difluoromethylsulfonyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide is sourced from PubChem (CID 76910935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).