N'-hydroxy-2-(4,4,4-trifluorobutylsulfonylamino)ethanimidamide

C6H12F3N3O3S — CID 83058108

IUPACN'-hydroxy-2-(4,4,4-trifluorobutylsulfonylamino)ethanimidamide
SMILESNC(CNS(=O)(=O)CCCC(F)(F)F)=NO
InChIInChI=1S/C6H12F3N3O3S/c7-6(8,9)2-1-3-16(14,15)11-4-5(10)12-13/h11,13H,1-4H2,(H2,10,12)
InChIKeyZJXVPWYWOZUGHV-UHFFFAOYSA-N
MW263.24 g/mol
LogP-0.01
Rot. Bonds6

About N'-hydroxy-2-(4,4,4-trifluorobutylsulfonylamino)ethanimidamide

N'-hydroxy-2-(4,4,4-trifluorobutylsulfonylamino)ethanimidamide (PubChem CID 83058108) has the molecular formula C6H12F3N3O3S and a molecular weight of 263.24 g/mol. Its IUPAC name is N'-hydroxy-2-(4,4,4-trifluorobutylsulfonylamino)ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(4,4,4-trifluorobutylsulfonylamino)ethanimidamide
PubChem CID83058108
Molecular FormulaC6H12F3N3O3S
Molecular Weight263.24 g/mol
Exact Mass263.06
IUPAC NameN'-hydroxy-2-(4,4,4-trifluorobutylsulfonylamino)ethanimidamide
SMILESNC(CNS(=O)(=O)CCCC(F)(F)F)=NO
InChIInChI=1S/C6H12F3N3O3S/c7-6(8,9)2-1-3-16(14,15)11-4-5(10)12-13/h11,13H,1-4H2,(H2,10,12)
InChIKeyZJXVPWYWOZUGHV-UHFFFAOYSA-N
XLogP-0.01
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.24
LogP ≤ 5-0.01
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 N'-hydroxy-2-(4,4,4-trifluorobutylsulfonylamino)ethanimidamide?
The IUPAC name of N'-hydroxy-2-(4,4,4-trifluorobutylsulfonylamino)ethanimidamide (CID 83058108) is N'-hydroxy-2-(4,4,4-trifluorobutylsulfonylamino)ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-(4,4,4-trifluorobutylsulfonylamino)ethanimidamide?
The canonical SMILES for N'-hydroxy-2-(4,4,4-trifluorobutylsulfonylamino)ethanimidamide is NC(CNS(=O)(=O)CCCC(F)(F)F)=NO.
What is the InChIKey of N'-hydroxy-2-(4,4,4-trifluorobutylsulfonylamino)ethanimidamide?
The InChIKey is ZJXVPWYWOZUGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3N3O3S/c7-6(8,9)2-1-3-16(14,15)11-4-5(10)12-13/h11,13H,1-4H2,(H2,10,12).
What are the key properties of N'-hydroxy-2-(4,4,4-trifluorobutylsulfonylamino)ethanimidamide?
N'-hydroxy-2-(4,4,4-trifluorobutylsulfonylamino)ethanimidamide has a molecular weight of 263.24 g/mol, XLogP of -0.01, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(4,4,4-trifluorobutylsulfonylamino)ethanimidamide is sourced from PubChem (CID 83058108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).