N-hydroxy-N'-[4-(2-phenylsulfanylethoxy)phenyl]methanimidamide

C15H16N2O2S — CID 20763531

IUPACN-hydroxy-N'-[4-(2-phenylsulfanylethoxy)phenyl]methanimidamide
SMILESON/C=N/c1ccc(OCCSc2ccccc2)cc1
InChIInChI=1S/C15H16N2O2S/c18-17-12-16-13-6-8-14(9-7-13)19-10-11-20-15-4-2-1-3-5-15/h1-9,12,18H,10-11H2,(H,16,17)
InChIKeyJAEVPZBEQZJEAE-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.50
Rot. Bonds7

About N-hydroxy-N'-[4-(2-phenylsulfanylethoxy)phenyl]methanimidamide

N-hydroxy-N'-[4-(2-phenylsulfanylethoxy)phenyl]methanimidamide (PubChem CID 20763531) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is N-hydroxy-N'-[4-(2-phenylsulfanylethoxy)phenyl]methanimidamide.

Molecular Properties

Compound NameN-hydroxy-N'-[4-(2-phenylsulfanylethoxy)phenyl]methanimidamide
PubChem CID20763531
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC NameN-hydroxy-N'-[4-(2-phenylsulfanylethoxy)phenyl]methanimidamide
SMILESON/C=N/c1ccc(OCCSc2ccccc2)cc1
InChIInChI=1S/C15H16N2O2S/c18-17-12-16-13-6-8-14(9-7-13)19-10-11-20-15-4-2-1-3-5-15/h1-9,12,18H,10-11H2,(H,16,17)
InChIKeyJAEVPZBEQZJEAE-UHFFFAOYSA-N
XLogP3.50
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-N'-[4-(3-phenylpropoxy)phenyl]methanimidamide
CID 20763545
1-methyl-4-(2-phenylsulfanylethoxy)benzene
CID 21280733
N'-(4-heptylsulfanylphenyl)-N-hydroxymethanimidamide
CID 20763415
N-methyl-4-(2-phenylsulfanylethoxy)benzamide
CID 53283867
1-(2-phenylsulfanylethoxy)-4-(trifluoromethyl)benzene
CID 79403226
(1R)-1-[4-(2-phenylsulfanylethoxy)phenyl]propan-1-ol
CID 79222984
N-hydroxy-N'-[4-[(E)-2-phenylethenyl]phenyl]methanimidamide
CID 20763591
N-phenyl-4-(2-phenylsulfanylethoxy)benzamide
CID 46762944
1-(2-methoxyethyl)-4-(2-phenylsulfanylethoxy)benzene
CID 79403925
N'-[4-(3,7-dimethyloct-6-enoxy)phenyl]-N-hydroxymethanimidamide
CID 20763356
4-(2-phenylsulfanylethoxy)benzene-1,2-diamine
CID 21496504
2-methyl-4-(2-phenylsulfanylethoxy)aniline
CID 79211754

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N'-[4-(2-phenylsulfanylethoxy)phenyl]methanimidamide?
The IUPAC name of N-hydroxy-N'-[4-(2-phenylsulfanylethoxy)phenyl]methanimidamide (CID 20763531) is N-hydroxy-N'-[4-(2-phenylsulfanylethoxy)phenyl]methanimidamide.
What is the SMILES notation for N-hydroxy-N'-[4-(2-phenylsulfanylethoxy)phenyl]methanimidamide?
The canonical SMILES for N-hydroxy-N'-[4-(2-phenylsulfanylethoxy)phenyl]methanimidamide is ON/C=N/c1ccc(OCCSc2ccccc2)cc1.
What is the InChIKey of N-hydroxy-N'-[4-(2-phenylsulfanylethoxy)phenyl]methanimidamide?
The InChIKey is JAEVPZBEQZJEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c18-17-12-16-13-6-8-14(9-7-13)19-10-11-20-15-4-2-1-3-5-15/h1-9,12,18H,10-11H2,(H,16,17).
What are the key properties of N-hydroxy-N'-[4-(2-phenylsulfanylethoxy)phenyl]methanimidamide?
N-hydroxy-N'-[4-(2-phenylsulfanylethoxy)phenyl]methanimidamide has a molecular weight of 288.37 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N'-[4-(2-phenylsulfanylethoxy)phenyl]methanimidamide is sourced from PubChem (CID 20763531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).