(NE)-N-[1-(4-methylsulfanylphenyl)-2-phenylethylidene]hydroxylamine

C15H15NOS — CID 18183638

IUPAC(NE)-N-[1-(4-methylsulfanylphenyl)-2-phenylethylidene]hydroxylamine
SMILESCSc1ccc(/C(Cc2ccccc2)=N/O)cc1
InChIInChI=1S/C15H15NOS/c1-18-14-9-7-13(8-10-14)15(16-17)11-12-5-3-2-4-6-12/h2-10,17H,11H2,1H3/b16-15+
InChIKeyKKMUQBMQICDYRH-FOCLMDBBSA-N
MW257.36 g/mol
LogP3.83
Rot. Bonds4

About (NE)-N-[1-(4-methylsulfanylphenyl)-2-phenylethylidene]hydroxylamine

(NE)-N-[1-(4-methylsulfanylphenyl)-2-phenylethylidene]hydroxylamine (PubChem CID 18183638) has the molecular formula C15H15NOS and a molecular weight of 257.36 g/mol. Its IUPAC name is (NE)-N-[1-(4-methylsulfanylphenyl)-2-phenylethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-(4-methylsulfanylphenyl)-2-phenylethylidene]hydroxylamine
PubChem CID18183638
Molecular FormulaC15H15NOS
Molecular Weight257.36 g/mol
Exact Mass257.09
IUPAC Name(NE)-N-[1-(4-methylsulfanylphenyl)-2-phenylethylidene]hydroxylamine
SMILESCSc1ccc(/C(Cc2ccccc2)=N/O)cc1
InChIInChI=1S/C15H15NOS/c1-18-14-9-7-13(8-10-14)15(16-17)11-12-5-3-2-4-6-12/h2-10,17H,11H2,1H3/b16-15+
InChIKeyKKMUQBMQICDYRH-FOCLMDBBSA-N
XLogP3.83
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 (NE)-N-[1-(4-methylsulfanylphenyl)-2-phenylethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-(4-methylsulfanylphenyl)-2-phenylethylidene]hydroxylamine (CID 18183638) is (NE)-N-[1-(4-methylsulfanylphenyl)-2-phenylethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-(4-methylsulfanylphenyl)-2-phenylethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-(4-methylsulfanylphenyl)-2-phenylethylidene]hydroxylamine is CSc1ccc(/C(Cc2ccccc2)=N/O)cc1.
What is the InChIKey of (NE)-N-[1-(4-methylsulfanylphenyl)-2-phenylethylidene]hydroxylamine?
The InChIKey is KKMUQBMQICDYRH-FOCLMDBBSA-N. The full InChI is InChI=1S/C15H15NOS/c1-18-14-9-7-13(8-10-14)15(16-17)11-12-5-3-2-4-6-12/h2-10,17H,11H2,1H3/b16-15+.
What are the key properties of (NE)-N-[1-(4-methylsulfanylphenyl)-2-phenylethylidene]hydroxylamine?
(NE)-N-[1-(4-methylsulfanylphenyl)-2-phenylethylidene]hydroxylamine has a molecular weight of 257.36 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-(4-methylsulfanylphenyl)-2-phenylethylidene]hydroxylamine is sourced from PubChem (CID 18183638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).