3,3,3-trifluoro-N'-hydroxy-2-[[methyl(2-methylsulfanylethyl)amino]methyl]propanimidamide

C8H16F3N3OS — CID 103370112

IUPAC3,3,3-trifluoro-N'-hydroxy-2-[[methyl(2-methylsulfanylethyl)amino]methyl]propanimidamide
SMILESCSCCN(C)CC(C(N)=NO)C(F)(F)F
InChIInChI=1S/C8H16F3N3OS/c1-14(3-4-16-2)5-6(7(12)13-15)8(9,10)11/h6,15H,3-5H2,1-2H3,(H2,12,13)
InChIKeyHUQQRCYEWJALGP-UHFFFAOYSA-N
MW259.30 g/mol
LogP1.21
Rot. Bonds6

About 3,3,3-trifluoro-N'-hydroxy-2-[[methyl(2-methylsulfanylethyl)amino]methyl]propanimidamide

3,3,3-trifluoro-N'-hydroxy-2-[[methyl(2-methylsulfanylethyl)amino]methyl]propanimidamide (PubChem CID 103370112) has the molecular formula C8H16F3N3OS and a molecular weight of 259.30 g/mol. Its IUPAC name is 3,3,3-trifluoro-N'-hydroxy-2-[[methyl(2-methylsulfanylethyl)amino]methyl]propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N'-hydroxy-2-[[methyl(2-methylsulfanylethyl)amino]methyl]propanimidamide
PubChem CID103370112
Molecular FormulaC8H16F3N3OS
Molecular Weight259.30 g/mol
Exact Mass259.10
IUPAC Name3,3,3-trifluoro-N'-hydroxy-2-[[methyl(2-methylsulfanylethyl)amino]methyl]propanimidamide
SMILESCSCCN(C)CC(C(N)=NO)C(F)(F)F
InChIInChI=1S/C8H16F3N3OS/c1-14(3-4-16-2)5-6(7(12)13-15)8(9,10)11/h6,15H,3-5H2,1-2H3,(H2,12,13)
InChIKeyHUQQRCYEWJALGP-UHFFFAOYSA-N
XLogP1.21
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 51.21
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'}

Analyze 3,3,3-trifluoro-N'-hydroxy-2-[[methyl(2-methylsulfanylethyl)amino]methyl]propanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[[methyl(2-methylsulfanylethyl)amino]methyl]propanimidamide?
The IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[[methyl(2-methylsulfanylethyl)amino]methyl]propanimidamide (CID 103370112) is 3,3,3-trifluoro-N'-hydroxy-2-[[methyl(2-methylsulfanylethyl)amino]methyl]propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-N'-hydroxy-2-[[methyl(2-methylsulfanylethyl)amino]methyl]propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-N'-hydroxy-2-[[methyl(2-methylsulfanylethyl)amino]methyl]propanimidamide is CSCCN(C)CC(C(N)=NO)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N'-hydroxy-2-[[methyl(2-methylsulfanylethyl)amino]methyl]propanimidamide?
The InChIKey is HUQQRCYEWJALGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3N3OS/c1-14(3-4-16-2)5-6(7(12)13-15)8(9,10)11/h6,15H,3-5H2,1-2H3,(H2,12,13).
What are the key properties of 3,3,3-trifluoro-N'-hydroxy-2-[[methyl(2-methylsulfanylethyl)amino]methyl]propanimidamide?
3,3,3-trifluoro-N'-hydroxy-2-[[methyl(2-methylsulfanylethyl)amino]methyl]propanimidamide has a molecular weight of 259.30 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N'-hydroxy-2-[[methyl(2-methylsulfanylethyl)amino]methyl]propanimidamide is sourced from PubChem (CID 103370112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).