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

C5H11F2N3O3S — CID 76953316

IUPAC3-(difluoromethylsulfonylamino)-N'-hydroxy-2-methylpropanimidamide
SMILESCC(CNS(=O)(=O)C(F)F)C(N)=NO
InChIInChI=1S/C5H11F2N3O3S/c1-3(4(8)10-11)2-9-14(12,13)5(6)7/h3,5,9,11H,2H2,1H3,(H2,8,10)
InChIKeyPIIJDOLYHZPYCE-UHFFFAOYSA-N
MW231.22 g/mol
LogP-0.49
Rot. Bonds5

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

3-(difluoromethylsulfonylamino)-N'-hydroxy-2-methylpropanimidamide (PubChem CID 76953316) has the molecular formula C5H11F2N3O3S and a molecular weight of 231.22 g/mol. Its IUPAC name is 3-(difluoromethylsulfonylamino)-N'-hydroxy-2-methylpropanimidamide.

Molecular Properties

Compound Name3-(difluoromethylsulfonylamino)-N'-hydroxy-2-methylpropanimidamide
PubChem CID76953316
Molecular FormulaC5H11F2N3O3S
Molecular Weight231.22 g/mol
Exact Mass231.05
IUPAC Name3-(difluoromethylsulfonylamino)-N'-hydroxy-2-methylpropanimidamide
SMILESCC(CNS(=O)(=O)C(F)F)C(N)=NO
InChIInChI=1S/C5H11F2N3O3S/c1-3(4(8)10-11)2-9-14(12,13)5(6)7/h3,5,9,11H,2H2,1H3,(H2,8,10)
InChIKeyPIIJDOLYHZPYCE-UHFFFAOYSA-N
XLogP-0.49
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 5-0.49
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 3-(difluoromethylsulfonylamino)-N'-hydroxy-2-methylpropanimidamide?
The IUPAC name of 3-(difluoromethylsulfonylamino)-N'-hydroxy-2-methylpropanimidamide (CID 76953316) is 3-(difluoromethylsulfonylamino)-N'-hydroxy-2-methylpropanimidamide.
What is the SMILES notation for 3-(difluoromethylsulfonylamino)-N'-hydroxy-2-methylpropanimidamide?
The canonical SMILES for 3-(difluoromethylsulfonylamino)-N'-hydroxy-2-methylpropanimidamide is CC(CNS(=O)(=O)C(F)F)C(N)=NO.
What is the InChIKey of 3-(difluoromethylsulfonylamino)-N'-hydroxy-2-methylpropanimidamide?
The InChIKey is PIIJDOLYHZPYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F2N3O3S/c1-3(4(8)10-11)2-9-14(12,13)5(6)7/h3,5,9,11H,2H2,1H3,(H2,8,10).
What are the key properties of 3-(difluoromethylsulfonylamino)-N'-hydroxy-2-methylpropanimidamide?
3-(difluoromethylsulfonylamino)-N'-hydroxy-2-methylpropanimidamide has a molecular weight of 231.22 g/mol, XLogP of -0.49, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethylsulfonylamino)-N'-hydroxy-2-methylpropanimidamide is sourced from PubChem (CID 76953316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).