(NZ)-N-(1-phenyl-2-phenylsulfanylethylidene)hydroxylamine

C14H13NOS — CID 11042951

IUPAC(NZ)-N-(1-phenyl-2-phenylsulfanylethylidene)hydroxylamine
SMILESO/N=C(\CSc1ccccc1)c1ccccc1
InChIInChI=1S/C14H13NOS/c16-15-14(12-7-3-1-4-8-12)11-17-13-9-5-2-6-10-13/h1-10,16H,11H2/b15-14+
InChIKeyTZKJQSMMRLYJCQ-CCEZHUSRSA-N
MW243.33 g/mol
LogP3.66
Rot. Bonds4

About (NZ)-N-(1-phenyl-2-phenylsulfanylethylidene)hydroxylamine

(NZ)-N-(1-phenyl-2-phenylsulfanylethylidene)hydroxylamine (PubChem CID 11042951) has the molecular formula C14H13NOS and a molecular weight of 243.33 g/mol. Its IUPAC name is (NZ)-N-(1-phenyl-2-phenylsulfanylethylidene)hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-(1-phenyl-2-phenylsulfanylethylidene)hydroxylamine
PubChem CID11042951
Molecular FormulaC14H13NOS
Molecular Weight243.33 g/mol
Exact Mass243.07
IUPAC Name(NZ)-N-(1-phenyl-2-phenylsulfanylethylidene)hydroxylamine
SMILESO/N=C(\CSc1ccccc1)c1ccccc1
InChIInChI=1S/C14H13NOS/c16-15-14(12-7-3-1-4-8-12)11-17-13-9-5-2-6-10-13/h1-10,16H,11H2/b15-14+
InChIKeyTZKJQSMMRLYJCQ-CCEZHUSRSA-N
XLogP3.66
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 53.66
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 (NZ)-N-(1-phenyl-2-phenylsulfanylethylidene)hydroxylamine?
The IUPAC name of (NZ)-N-(1-phenyl-2-phenylsulfanylethylidene)hydroxylamine (CID 11042951) is (NZ)-N-(1-phenyl-2-phenylsulfanylethylidene)hydroxylamine.
What is the SMILES notation for (NZ)-N-(1-phenyl-2-phenylsulfanylethylidene)hydroxylamine?
The canonical SMILES for (NZ)-N-(1-phenyl-2-phenylsulfanylethylidene)hydroxylamine is O/N=C(\CSc1ccccc1)c1ccccc1.
What is the InChIKey of (NZ)-N-(1-phenyl-2-phenylsulfanylethylidene)hydroxylamine?
The InChIKey is TZKJQSMMRLYJCQ-CCEZHUSRSA-N. The full InChI is InChI=1S/C14H13NOS/c16-15-14(12-7-3-1-4-8-12)11-17-13-9-5-2-6-10-13/h1-10,16H,11H2/b15-14+.
What are the key properties of (NZ)-N-(1-phenyl-2-phenylsulfanylethylidene)hydroxylamine?
(NZ)-N-(1-phenyl-2-phenylsulfanylethylidene)hydroxylamine has a molecular weight of 243.33 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-(1-phenyl-2-phenylsulfanylethylidene)hydroxylamine is sourced from PubChem (CID 11042951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).