3-[cyclopropyl(difluoromethylsulfonyl)amino]-N'-hydroxypropanimidamide

C7H13F2N3O3S — CID 76911769

IUPAC3-[cyclopropyl(difluoromethylsulfonyl)amino]-N'-hydroxypropanimidamide
SMILESNC(CCN(C1CC1)S(=O)(=O)C(F)F)=NO
InChIInChI=1S/C7H13F2N3O3S/c8-7(9)16(14,15)12(5-1-2-5)4-3-6(10)11-13/h5,7,13H,1-4H2,(H2,10,11)
InChIKeyXQIZUYGKDKLLGT-UHFFFAOYSA-N
MW257.26 g/mol
LogP0.14
Rot. Bonds6

About 3-[cyclopropyl(difluoromethylsulfonyl)amino]-N'-hydroxypropanimidamide

3-[cyclopropyl(difluoromethylsulfonyl)amino]-N'-hydroxypropanimidamide (PubChem CID 76911769) has the molecular formula C7H13F2N3O3S and a molecular weight of 257.26 g/mol. Its IUPAC name is 3-[cyclopropyl(difluoromethylsulfonyl)amino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[cyclopropyl(difluoromethylsulfonyl)amino]-N'-hydroxypropanimidamide
PubChem CID76911769
Molecular FormulaC7H13F2N3O3S
Molecular Weight257.26 g/mol
Exact Mass257.06
IUPAC Name3-[cyclopropyl(difluoromethylsulfonyl)amino]-N'-hydroxypropanimidamide
SMILESNC(CCN(C1CC1)S(=O)(=O)C(F)F)=NO
InChIInChI=1S/C7H13F2N3O3S/c8-7(9)16(14,15)12(5-1-2-5)4-3-6(10)11-13/h5,7,13H,1-4H2,(H2,10,11)
InChIKeyXQIZUYGKDKLLGT-UHFFFAOYSA-N
XLogP0.14
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 50.14
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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Related Compounds

3-[Difluoromethylsulfonyl(propan-2-yl)amino]propanimidamide
CID 64408159
3-[Cyclopropyl(difluoromethylsulfonyl)amino]propanimidamide
CID 64412257
3-[difluoromethylsulfonyl(ethyl)amino]-N'-hydroxypropanimidamide
CID 76910586
3-[difluoromethylsulfonyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 76910766
3-[difluoromethylsulfonyl(propan-2-yl)amino]-N'-hydroxypropanimidamide
CID 76911573
3-[difluoromethylsulfonyl(methyl)amino]-N'-hydroxybutanimidamide
CID 76987880
N'-hydroxy-3-[propan-2-yl(4,4,4-trifluorobutylsulfonyl)amino]propanimidamide
CID 83058936
3-[cyclopropyl(4,4,4-trifluorobutylsulfonyl)amino]-N'-hydroxypropanimidamide
CID 83059113
3-[cyclopropyl(2,2,2-trifluoroethylsulfamoyl)amino]-N'-hydroxypropanimidamide
CID 104978375
3-[difluoromethylsulfonyl(methyl)amino]-N'-hydroxypropanimidamide
CID 112495178
3-[cyclopropyl(methylsulfonyl)amino]-N'-hydroxypropanimidamide
CID 76911693

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(difluoromethylsulfonyl)amino]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[cyclopropyl(difluoromethylsulfonyl)amino]-N'-hydroxypropanimidamide (CID 76911769) is 3-[cyclopropyl(difluoromethylsulfonyl)amino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[cyclopropyl(difluoromethylsulfonyl)amino]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[cyclopropyl(difluoromethylsulfonyl)amino]-N'-hydroxypropanimidamide is NC(CCN(C1CC1)S(=O)(=O)C(F)F)=NO.
What is the InChIKey of 3-[cyclopropyl(difluoromethylsulfonyl)amino]-N'-hydroxypropanimidamide?
The InChIKey is XQIZUYGKDKLLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2N3O3S/c8-7(9)16(14,15)12(5-1-2-5)4-3-6(10)11-13/h5,7,13H,1-4H2,(H2,10,11).
What are the key properties of 3-[cyclopropyl(difluoromethylsulfonyl)amino]-N'-hydroxypropanimidamide?
3-[cyclopropyl(difluoromethylsulfonyl)amino]-N'-hydroxypropanimidamide has a molecular weight of 257.26 g/mol, XLogP of 0.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(difluoromethylsulfonyl)amino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 76911769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).