N'-hydroxy-2-(2-phenylsulfanylphenyl)ethanimidamide

C14H14N2OS — CID 3088332

IUPACN'-hydroxy-2-(2-phenylsulfanylphenyl)ethanimidamide
SMILESNC(Cc1ccccc1Sc1ccccc1)=NO
InChIInChI=1S/C14H14N2OS/c15-14(16-17)10-11-6-4-5-9-13(11)18-12-7-2-1-3-8-12/h1-9,17H,10H2,(H2,15,16)
InChIKeyJUOKZJXIEICRKB-UHFFFAOYSA-N
MW258.35 g/mol
LogP3.13
Rot. Bonds4

About N'-hydroxy-2-(2-phenylsulfanylphenyl)ethanimidamide

N'-hydroxy-2-(2-phenylsulfanylphenyl)ethanimidamide (PubChem CID 3088332) has the molecular formula C14H14N2OS and a molecular weight of 258.35 g/mol. Its IUPAC name is N'-hydroxy-2-(2-phenylsulfanylphenyl)ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(2-phenylsulfanylphenyl)ethanimidamide
PubChem CID3088332
Molecular FormulaC14H14N2OS
Molecular Weight258.35 g/mol
Exact Mass258.08
IUPAC NameN'-hydroxy-2-(2-phenylsulfanylphenyl)ethanimidamide
SMILESNC(Cc1ccccc1Sc1ccccc1)=NO
InChIInChI=1S/C14H14N2OS/c15-14(16-17)10-11-6-4-5-9-13(11)18-12-7-2-1-3-8-12/h1-9,17H,10H2,(H2,15,16)
InChIKeyJUOKZJXIEICRKB-UHFFFAOYSA-N
XLogP3.13
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(2-phenylsulfanylphenyl)ethanimidamide?
The IUPAC name of N'-hydroxy-2-(2-phenylsulfanylphenyl)ethanimidamide (CID 3088332) is N'-hydroxy-2-(2-phenylsulfanylphenyl)ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-(2-phenylsulfanylphenyl)ethanimidamide?
The canonical SMILES for N'-hydroxy-2-(2-phenylsulfanylphenyl)ethanimidamide is NC(Cc1ccccc1Sc1ccccc1)=NO.
What is the InChIKey of N'-hydroxy-2-(2-phenylsulfanylphenyl)ethanimidamide?
The InChIKey is JUOKZJXIEICRKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS/c15-14(16-17)10-11-6-4-5-9-13(11)18-12-7-2-1-3-8-12/h1-9,17H,10H2,(H2,15,16).
What are the key properties of N'-hydroxy-2-(2-phenylsulfanylphenyl)ethanimidamide?
N'-hydroxy-2-(2-phenylsulfanylphenyl)ethanimidamide has a molecular weight of 258.35 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(2-phenylsulfanylphenyl)ethanimidamide is sourced from PubChem (CID 3088332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).