N'-hydroxy-2-methyl-4-(2-methylsulfanylphenoxy)benzenecarboximidamide

C15H16N2O2S — CID 81277531

IUPACN'-hydroxy-2-methyl-4-(2-methylsulfanylphenoxy)benzenecarboximidamide
SMILESCSc1ccccc1Oc1ccc(/C(N)=N/O)c(C)c1
InChIInChI=1S/C15H16N2O2S/c1-10-9-11(7-8-12(10)15(16)17-18)19-13-5-3-4-6-14(13)20-2/h3-9,18H,1-2H3,(H2,16,17)
InChIKeyURCAFDXKPDEXNZ-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.60
Rot. Bonds4

About N'-hydroxy-2-methyl-4-(2-methylsulfanylphenoxy)benzenecarboximidamide

N'-hydroxy-2-methyl-4-(2-methylsulfanylphenoxy)benzenecarboximidamide (PubChem CID 81277531) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is N'-hydroxy-2-methyl-4-(2-methylsulfanylphenoxy)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methyl-4-(2-methylsulfanylphenoxy)benzenecarboximidamide
PubChem CID81277531
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC NameN'-hydroxy-2-methyl-4-(2-methylsulfanylphenoxy)benzenecarboximidamide
SMILESCSc1ccccc1Oc1ccc(/C(N)=N/O)c(C)c1
InChIInChI=1S/C15H16N2O2S/c1-10-9-11(7-8-12(10)15(16)17-18)19-13-5-3-4-6-14(13)20-2/h3-9,18H,1-2H3,(H2,16,17)
InChIKeyURCAFDXKPDEXNZ-UHFFFAOYSA-N
XLogP3.60
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.60
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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Related Compounds

4-(3,4-dimethylphenoxy)-N'-hydroxy-2-methylbenzenecarboximidamide
CID 81277438
N'-hydroxy-4-(4-methoxyphenoxy)-2-methylbenzenecarboximidamide
CID 81277967
[2-methyl-4-(2-methylsulfanylphenoxy)phenyl]methanamine
CID 63647338
2-(4-chloro-3-methylphenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77004510
4-(4-bromo-2,5-dichlorophenoxy)-N'-hydroxy-2-methylbenzenecarboximidamide
CID 107658362
2-methyl-4-(2-methylsulfanylphenoxy)benzonitrile
CID 81282036
4-(4-ethylphenoxy)-N'-hydroxy-2-methylbenzenecarboximidamide
CID 81277675
2-chloro-N'-hydroxy-4-(2-methoxyphenoxy)benzenecarboximidamide
CID 76981571
2-(3,4-dimethylphenoxy)-N'-hydroxy-4-methoxybenzenecarboximidamide
CID 81297165
N'-hydroxy-2-methyl-4-phenylmethoxybenzenecarboximidamide
CID 81278044
2-(4-fluorophenoxy)-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76939029
N'-hydroxy-2-(2-methoxyphenyl)sulfanyl-4-methylbenzenecarboximidamide
CID 76938911

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-methyl-4-(2-methylsulfanylphenoxy)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-2-methyl-4-(2-methylsulfanylphenoxy)benzenecarboximidamide (CID 81277531) is N'-hydroxy-2-methyl-4-(2-methylsulfanylphenoxy)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-2-methyl-4-(2-methylsulfanylphenoxy)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-2-methyl-4-(2-methylsulfanylphenoxy)benzenecarboximidamide is CSc1ccccc1Oc1ccc(/C(N)=N/O)c(C)c1.
What is the InChIKey of N'-hydroxy-2-methyl-4-(2-methylsulfanylphenoxy)benzenecarboximidamide?
The InChIKey is URCAFDXKPDEXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-10-9-11(7-8-12(10)15(16)17-18)19-13-5-3-4-6-14(13)20-2/h3-9,18H,1-2H3,(H2,16,17).
What are the key properties of N'-hydroxy-2-methyl-4-(2-methylsulfanylphenoxy)benzenecarboximidamide?
N'-hydroxy-2-methyl-4-(2-methylsulfanylphenoxy)benzenecarboximidamide has a molecular weight of 288.37 g/mol, XLogP of 3.60, 4 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-(2-methylsulfanylphenoxy)benzenecarboximidamide is sourced from PubChem (CID 81277531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).