5-(2,5-difluorophenyl)sulfanyl-N'-hydroxy-2,2-dimethylpentanimidamide

C13H18F2N2OS — CID 77063344

IUPAC5-(2,5-difluorophenyl)sulfanyl-N'-hydroxy-2,2-dimethylpentanimidamide
SMILESCC(C)(CCCSc1cc(F)ccc1F)C(N)=NO
InChIInChI=1S/C13H18F2N2OS/c1-13(2,12(16)17-18)6-3-7-19-11-8-9(14)4-5-10(11)15/h4-5,8,18H,3,6-7H2,1-2H3,(H2,16,17)
InChIKeyZSKCKRONDCBVMU-UHFFFAOYSA-N
MW288.36 g/mol
LogP3.61
Rot. Bonds6

About 5-(2,5-difluorophenyl)sulfanyl-N'-hydroxy-2,2-dimethylpentanimidamide

5-(2,5-difluorophenyl)sulfanyl-N'-hydroxy-2,2-dimethylpentanimidamide (PubChem CID 77063344) has the molecular formula C13H18F2N2OS and a molecular weight of 288.36 g/mol. Its IUPAC name is 5-(2,5-difluorophenyl)sulfanyl-N'-hydroxy-2,2-dimethylpentanimidamide.

Molecular Properties

Compound Name5-(2,5-difluorophenyl)sulfanyl-N'-hydroxy-2,2-dimethylpentanimidamide
PubChem CID77063344
Molecular FormulaC13H18F2N2OS
Molecular Weight288.36 g/mol
Exact Mass288.11
IUPAC Name5-(2,5-difluorophenyl)sulfanyl-N'-hydroxy-2,2-dimethylpentanimidamide
SMILESCC(C)(CCCSc1cc(F)ccc1F)C(N)=NO
InChIInChI=1S/C13H18F2N2OS/c1-13(2,12(16)17-18)6-3-7-19-11-8-9(14)4-5-10(11)15/h4-5,8,18H,3,6-7H2,1-2H3,(H2,16,17)
InChIKeyZSKCKRONDCBVMU-UHFFFAOYSA-N
XLogP3.61
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 5-(2,5-difluorophenyl)sulfanyl-N'-hydroxy-2,2-dimethylpentanimidamide with MolForge

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

Launch Full Analysis

Related Compounds

4-(2,4-difluorophenyl)sulfanyl-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062416
5-(2,4-difluoroanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063764
N'-hydroxy-2,2-dimethyl-5-phenylsulfanylpentanimidamide
CID 77063342
6-(2,4-dimethylphenyl)sulfanyl-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106712686
5-(2,5-difluorophenyl)sulfanyl-2,2-dimethylpentanenitrile
CID 65257227
3-(aminomethyl)-6-(2,5-difluorophenyl)sulfanylhexan-3-ol
CID 106811633
4-(2,5-difluorophenyl)sulfanylbutan-1-amine
CID 43530759
N'-hydroxy-2,2-dimethyl-5-naphthalen-2-ylsulfanylpentanimidamide
CID 77063369
N'-hydroxy-2,2-dimethyl-5-pyrimidin-4-ylsulfanylpentanimidamide
CID 77064204
5-[1-(4-fluorophenyl)ethylamino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063738
N'-hydroxy-2,2-dimethyl-5-pyrimidin-2-ylsulfanylpentanimidamide
CID 77063459
5-(3-bromo-4-fluoroanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 104779738

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-difluorophenyl)sulfanyl-N'-hydroxy-2,2-dimethylpentanimidamide?
The IUPAC name of 5-(2,5-difluorophenyl)sulfanyl-N'-hydroxy-2,2-dimethylpentanimidamide (CID 77063344) is 5-(2,5-difluorophenyl)sulfanyl-N'-hydroxy-2,2-dimethylpentanimidamide.
What is the SMILES notation for 5-(2,5-difluorophenyl)sulfanyl-N'-hydroxy-2,2-dimethylpentanimidamide?
The canonical SMILES for 5-(2,5-difluorophenyl)sulfanyl-N'-hydroxy-2,2-dimethylpentanimidamide is CC(C)(CCCSc1cc(F)ccc1F)C(N)=NO.
What is the InChIKey of 5-(2,5-difluorophenyl)sulfanyl-N'-hydroxy-2,2-dimethylpentanimidamide?
The InChIKey is ZSKCKRONDCBVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2OS/c1-13(2,12(16)17-18)6-3-7-19-11-8-9(14)4-5-10(11)15/h4-5,8,18H,3,6-7H2,1-2H3,(H2,16,17).
What are the key properties of 5-(2,5-difluorophenyl)sulfanyl-N'-hydroxy-2,2-dimethylpentanimidamide?
5-(2,5-difluorophenyl)sulfanyl-N'-hydroxy-2,2-dimethylpentanimidamide has a molecular weight of 288.36 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-difluorophenyl)sulfanyl-N'-hydroxy-2,2-dimethylpentanimidamide is sourced from PubChem (CID 77063344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).