N'-hydroxy-2-[methyl(4,4,4-trifluorobutylsulfonyl)amino]ethanimidamide

C7H14F3N3O3S — CID 83059287

IUPACN'-hydroxy-2-[methyl(4,4,4-trifluorobutylsulfonyl)amino]ethanimidamide
SMILESCN(CC(N)=NO)S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C7H14F3N3O3S/c1-13(5-6(11)12-14)17(15,16)4-2-3-7(8,9)10/h14H,2-5H2,1H3,(H2,11,12)
InChIKeyUWJTZPZUOPMUFK-UHFFFAOYSA-N
MW277.27 g/mol
LogP0.34
Rot. Bonds6

About N'-hydroxy-2-[methyl(4,4,4-trifluorobutylsulfonyl)amino]ethanimidamide

N'-hydroxy-2-[methyl(4,4,4-trifluorobutylsulfonyl)amino]ethanimidamide (PubChem CID 83059287) has the molecular formula C7H14F3N3O3S and a molecular weight of 277.27 g/mol. Its IUPAC name is N'-hydroxy-2-[methyl(4,4,4-trifluorobutylsulfonyl)amino]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[methyl(4,4,4-trifluorobutylsulfonyl)amino]ethanimidamide
PubChem CID83059287
Molecular FormulaC7H14F3N3O3S
Molecular Weight277.27 g/mol
Exact Mass277.07
IUPAC NameN'-hydroxy-2-[methyl(4,4,4-trifluorobutylsulfonyl)amino]ethanimidamide
SMILESCN(CC(N)=NO)S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C7H14F3N3O3S/c1-13(5-6(11)12-14)17(15,16)4-2-3-7(8,9)10/h14H,2-5H2,1H3,(H2,11,12)
InChIKeyUWJTZPZUOPMUFK-UHFFFAOYSA-N
XLogP0.34
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 50.34
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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[methyl(4,4,4-trifluorobutylsulfonyl)amino]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[methyl(4,4,4-trifluorobutylsulfonyl)amino]ethanimidamide (CID 83059287) is N'-hydroxy-2-[methyl(4,4,4-trifluorobutylsulfonyl)amino]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[methyl(4,4,4-trifluorobutylsulfonyl)amino]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[methyl(4,4,4-trifluorobutylsulfonyl)amino]ethanimidamide is CN(CC(N)=NO)S(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of N'-hydroxy-2-[methyl(4,4,4-trifluorobutylsulfonyl)amino]ethanimidamide?
The InChIKey is UWJTZPZUOPMUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3N3O3S/c1-13(5-6(11)12-14)17(15,16)4-2-3-7(8,9)10/h14H,2-5H2,1H3,(H2,11,12).
What are the key properties of N'-hydroxy-2-[methyl(4,4,4-trifluorobutylsulfonyl)amino]ethanimidamide?
N'-hydroxy-2-[methyl(4,4,4-trifluorobutylsulfonyl)amino]ethanimidamide has a molecular weight of 277.27 g/mol, XLogP of 0.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[methyl(4,4,4-trifluorobutylsulfonyl)amino]ethanimidamide is sourced from PubChem (CID 83059287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).