3-(difluoromethylsulfonylamino)-N'-hydroxy-2,2-dimethylpropanimidamide

C6H13F2N3O3S — CID 104873880

IUPAC3-(difluoromethylsulfonylamino)-N'-hydroxy-2,2-dimethylpropanimidamide
SMILESCC(C)(CNS(=O)(=O)C(F)F)C(N)=NO
InChIInChI=1S/C6H13F2N3O3S/c1-6(2,4(9)11-12)3-10-15(13,14)5(7)8/h5,10,12H,3H2,1-2H3,(H2,9,11)
InChIKeyBPVIFKWGUCORPK-UHFFFAOYSA-N
MW245.25 g/mol
LogP-0.10
Rot. Bonds5

About 3-(difluoromethylsulfonylamino)-N'-hydroxy-2,2-dimethylpropanimidamide

3-(difluoromethylsulfonylamino)-N'-hydroxy-2,2-dimethylpropanimidamide (PubChem CID 104873880) has the molecular formula C6H13F2N3O3S and a molecular weight of 245.25 g/mol. Its IUPAC name is 3-(difluoromethylsulfonylamino)-N'-hydroxy-2,2-dimethylpropanimidamide.

Molecular Properties

Compound Name3-(difluoromethylsulfonylamino)-N'-hydroxy-2,2-dimethylpropanimidamide
PubChem CID104873880
Molecular FormulaC6H13F2N3O3S
Molecular Weight245.25 g/mol
Exact Mass245.06
IUPAC Name3-(difluoromethylsulfonylamino)-N'-hydroxy-2,2-dimethylpropanimidamide
SMILESCC(C)(CNS(=O)(=O)C(F)F)C(N)=NO
InChIInChI=1S/C6H13F2N3O3S/c1-6(2,4(9)11-12)3-10-15(13,14)5(7)8/h5,10,12H,3H2,1-2H3,(H2,9,11)
InChIKeyBPVIFKWGUCORPK-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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Related Compounds

N'-hydroxy-2,2-dimethyl-3-[[methyl(propan-2-yl)sulfamoyl]amino]propanimidamide
CID 104873849
N'-hydroxy-2,2-dimethyl-3-(2-propan-2-yloxyethylsulfonylamino)propanimidamide
CID 104873870
N-(3-amino-2,2-dimethylpropyl)-1,1-difluoromethanesulfonamide
CID 115365904
N'-hydroxy-2,2-dimethyl-3-(pyrrolidin-1-ylsulfonylamino)propanimidamide
CID 104873859
N'-hydroxy-2,2-dimethyl-3-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]propanimidamide
CID 104873862
N'-hydroxy-2,2-dimethyl-3-(1H-pyrazol-5-ylsulfonylamino)propanimidamide
CID 102693887
N'-hydroxy-2,2-dimethyl-3-[(1-methylimidazol-4-yl)sulfonylamino]propanimidamide
CID 104873854
N-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-2-ethylbutanamide
CID 104873798
N-[2-(aminomethyl)-2-ethylbutyl]-1,1-difluoromethanesulfonamide
CID 106251209
1,1-difluoro-N-(2-hydroxy-4-methoxy-2-methylbutyl)methanesulfonamide
CID 103834963
N-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-3-methylpentanamide
CID 104982329
N-ethyl-1,1-difluoromethanesulfonamide
CID 43258972

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethylsulfonylamino)-N'-hydroxy-2,2-dimethylpropanimidamide?
The IUPAC name of 3-(difluoromethylsulfonylamino)-N'-hydroxy-2,2-dimethylpropanimidamide (CID 104873880) is 3-(difluoromethylsulfonylamino)-N'-hydroxy-2,2-dimethylpropanimidamide.
What is the SMILES notation for 3-(difluoromethylsulfonylamino)-N'-hydroxy-2,2-dimethylpropanimidamide?
The canonical SMILES for 3-(difluoromethylsulfonylamino)-N'-hydroxy-2,2-dimethylpropanimidamide is CC(C)(CNS(=O)(=O)C(F)F)C(N)=NO.
What is the InChIKey of 3-(difluoromethylsulfonylamino)-N'-hydroxy-2,2-dimethylpropanimidamide?
The InChIKey is BPVIFKWGUCORPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F2N3O3S/c1-6(2,4(9)11-12)3-10-15(13,14)5(7)8/h5,10,12H,3H2,1-2H3,(H2,9,11).
What are the key properties of 3-(difluoromethylsulfonylamino)-N'-hydroxy-2,2-dimethylpropanimidamide?
3-(difluoromethylsulfonylamino)-N'-hydroxy-2,2-dimethylpropanimidamide 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 3-(difluoromethylsulfonylamino)-N'-hydroxy-2,2-dimethylpropanimidamide is sourced from PubChem (CID 104873880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).