2-(difluoromethylsulfonylamino)-N'-hydroxy-3-methylbutanimidamide

C6H13F2N3O3S — CID 77038411

IUPAC2-(difluoromethylsulfonylamino)-N'-hydroxy-3-methylbutanimidamide
SMILESCC(C)C(NS(=O)(=O)C(F)F)C(N)=NO
InChIInChI=1S/C6H13F2N3O3S/c1-3(2)4(5(9)10-12)11-15(13,14)6(7)8/h3-4,6,11-12H,1-2H3,(H2,9,10)
InChIKeyNEZDEKHSYDNNJB-UHFFFAOYSA-N
MW245.25 g/mol
LogP-0.10
Rot. Bonds5

About 2-(difluoromethylsulfonylamino)-N'-hydroxy-3-methylbutanimidamide

2-(difluoromethylsulfonylamino)-N'-hydroxy-3-methylbutanimidamide (PubChem CID 77038411) has the molecular formula C6H13F2N3O3S and a molecular weight of 245.25 g/mol. Its IUPAC name is 2-(difluoromethylsulfonylamino)-N'-hydroxy-3-methylbutanimidamide.

Molecular Properties

Compound Name2-(difluoromethylsulfonylamino)-N'-hydroxy-3-methylbutanimidamide
PubChem CID77038411
Molecular FormulaC6H13F2N3O3S
Molecular Weight245.25 g/mol
Exact Mass245.06
IUPAC Name2-(difluoromethylsulfonylamino)-N'-hydroxy-3-methylbutanimidamide
SMILESCC(C)C(NS(=O)(=O)C(F)F)C(N)=NO
InChIInChI=1S/C6H13F2N3O3S/c1-3(2)4(5(9)10-12)11-15(13,14)6(7)8/h3-4,6,11-12H,1-2H3,(H2,9,10)
InChIKeyNEZDEKHSYDNNJB-UHFFFAOYSA-N
XLogP-0.10
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
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 2-(difluoromethylsulfonylamino)-N'-hydroxy-3-methylbutanimidamide?
The IUPAC name of 2-(difluoromethylsulfonylamino)-N'-hydroxy-3-methylbutanimidamide (CID 77038411) is 2-(difluoromethylsulfonylamino)-N'-hydroxy-3-methylbutanimidamide.
What is the SMILES notation for 2-(difluoromethylsulfonylamino)-N'-hydroxy-3-methylbutanimidamide?
The canonical SMILES for 2-(difluoromethylsulfonylamino)-N'-hydroxy-3-methylbutanimidamide is CC(C)C(NS(=O)(=O)C(F)F)C(N)=NO.
What is the InChIKey of 2-(difluoromethylsulfonylamino)-N'-hydroxy-3-methylbutanimidamide?
The InChIKey is NEZDEKHSYDNNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F2N3O3S/c1-3(2)4(5(9)10-12)11-15(13,14)6(7)8/h3-4,6,11-12H,1-2H3,(H2,9,10).
What are the key properties of 2-(difluoromethylsulfonylamino)-N'-hydroxy-3-methylbutanimidamide?
2-(difluoromethylsulfonylamino)-N'-hydroxy-3-methylbutanimidamide has a molecular weight of 245.25 g/mol, XLogP of -0.10, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfonylamino)-N'-hydroxy-3-methylbutanimidamide is sourced from PubChem (CID 77038411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).