2-[difluoromethylsulfonyl(methyl)amino]-N'-hydroxypropanimidamide

C5H11F2N3O3S — CID 76928343

IUPAC2-[difluoromethylsulfonyl(methyl)amino]-N'-hydroxypropanimidamide
SMILESCC(C(N)=NO)N(C)S(=O)(=O)C(F)F
InChIInChI=1S/C5H11F2N3O3S/c1-3(4(8)9-11)10(2)14(12,13)5(6)7/h3,5,11H,1-2H3,(H2,8,9)
InChIKeyOXXQEZOKBNZRTK-UHFFFAOYSA-N
MW231.22 g/mol
LogP-0.39
Rot. Bonds4

About 2-[difluoromethylsulfonyl(methyl)amino]-N'-hydroxypropanimidamide

2-[difluoromethylsulfonyl(methyl)amino]-N'-hydroxypropanimidamide (PubChem CID 76928343) has the molecular formula C5H11F2N3O3S and a molecular weight of 231.22 g/mol. Its IUPAC name is 2-[difluoromethylsulfonyl(methyl)amino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-[difluoromethylsulfonyl(methyl)amino]-N'-hydroxypropanimidamide
PubChem CID76928343
Molecular FormulaC5H11F2N3O3S
Molecular Weight231.22 g/mol
Exact Mass231.05
IUPAC Name2-[difluoromethylsulfonyl(methyl)amino]-N'-hydroxypropanimidamide
SMILESCC(C(N)=NO)N(C)S(=O)(=O)C(F)F
InChIInChI=1S/C5H11F2N3O3S/c1-3(4(8)9-11)10(2)14(12,13)5(6)7/h3,5,11H,1-2H3,(H2,8,9)
InChIKeyOXXQEZOKBNZRTK-UHFFFAOYSA-N
XLogP-0.39
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 5-0.39
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

2-[Difluoromethylsulfonyl(methyl)amino]propanimidamide
CID 64408648
2-[Difluoromethylsulfonyl(propan-2-yl)amino]ethanimidamide
CID 64474218
3-[difluoromethylsulfonyl(ethyl)amino]-N'-hydroxypropanimidamide
CID 76910586
3-[difluoromethylsulfonyl(propan-2-yl)amino]-N'-hydroxypropanimidamide
CID 76911573
2-[difluoromethylsulfonyl(propyl)amino]-N'-hydroxyethanimidamide
CID 76927500
2-[difluoromethylsulfonyl(ethyl)amino]-N'-hydroxyethanimidamide
CID 76928793
2-[difluoromethylsulfonyl(methyl)amino]-N'-hydroxyethanimidamide
CID 76929468
3-(difluoromethylsulfonylamino)-N'-hydroxybutanimidamide
CID 76934597
3-[difluoromethylsulfonyl(methyl)amino]-N'-hydroxybutanimidamide
CID 76987880
2-[4-(difluoromethylsulfonyl)piperazin-1-yl]-N'-hydroxypropanimidamide
CID 77012637
2-[difluoromethylsulfonyl(propan-2-yl)amino]-N'-hydroxyethanimidamide
CID 77038202
N'-hydroxy-2-[propan-2-yl(4,4,4-trifluorobutylsulfonyl)amino]ethanimidamide
CID 83059114

Frequently Asked Questions

What is the IUPAC name of 2-[difluoromethylsulfonyl(methyl)amino]-N'-hydroxypropanimidamide?
The IUPAC name of 2-[difluoromethylsulfonyl(methyl)amino]-N'-hydroxypropanimidamide (CID 76928343) is 2-[difluoromethylsulfonyl(methyl)amino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-[difluoromethylsulfonyl(methyl)amino]-N'-hydroxypropanimidamide?
The canonical SMILES for 2-[difluoromethylsulfonyl(methyl)amino]-N'-hydroxypropanimidamide is CC(C(N)=NO)N(C)S(=O)(=O)C(F)F.
What is the InChIKey of 2-[difluoromethylsulfonyl(methyl)amino]-N'-hydroxypropanimidamide?
The InChIKey is OXXQEZOKBNZRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F2N3O3S/c1-3(4(8)9-11)10(2)14(12,13)5(6)7/h3,5,11H,1-2H3,(H2,8,9).
What are the key properties of 2-[difluoromethylsulfonyl(methyl)amino]-N'-hydroxypropanimidamide?
2-[difluoromethylsulfonyl(methyl)amino]-N'-hydroxypropanimidamide has a molecular weight of 231.22 g/mol, XLogP of -0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[difluoromethylsulfonyl(methyl)amino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 76928343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).