N-(2-phenyl-1-thiophen-2-ylethylidene)hydroxylamine

C12H11NOS — CID 71948509

IUPACN-(2-phenyl-1-thiophen-2-ylethylidene)hydroxylamine
SMILESON=C(Cc1ccccc1)c1cccs1
InChIInChI=1S/C12H11NOS/c14-13-11(12-7-4-8-15-12)9-10-5-2-1-3-6-10/h1-8,14H,9H2
InChIKeyYUFSIOKDHLZVNH-UHFFFAOYSA-N
MW217.29 g/mol
LogP3.17
Rot. Bonds3

About N-(2-phenyl-1-thiophen-2-ylethylidene)hydroxylamine

N-(2-phenyl-1-thiophen-2-ylethylidene)hydroxylamine (PubChem CID 71948509) has the molecular formula C12H11NOS and a molecular weight of 217.29 g/mol. Its IUPAC name is N-(2-phenyl-1-thiophen-2-ylethylidene)hydroxylamine.

Molecular Properties

Compound NameN-(2-phenyl-1-thiophen-2-ylethylidene)hydroxylamine
PubChem CID71948509
Molecular FormulaC12H11NOS
Molecular Weight217.29 g/mol
Exact Mass217.06
IUPAC NameN-(2-phenyl-1-thiophen-2-ylethylidene)hydroxylamine
SMILESON=C(Cc1ccccc1)c1cccs1
InChIInChI=1S/C12H11NOS/c14-13-11(12-7-4-8-15-12)9-10-5-2-1-3-6-10/h1-8,14H,9H2
InChIKeyYUFSIOKDHLZVNH-UHFFFAOYSA-N
XLogP3.17
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 53.17
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 N-(2-phenyl-1-thiophen-2-ylethylidene)hydroxylamine?
The IUPAC name of N-(2-phenyl-1-thiophen-2-ylethylidene)hydroxylamine (CID 71948509) is N-(2-phenyl-1-thiophen-2-ylethylidene)hydroxylamine.
What is the SMILES notation for N-(2-phenyl-1-thiophen-2-ylethylidene)hydroxylamine?
The canonical SMILES for N-(2-phenyl-1-thiophen-2-ylethylidene)hydroxylamine is ON=C(Cc1ccccc1)c1cccs1.
What is the InChIKey of N-(2-phenyl-1-thiophen-2-ylethylidene)hydroxylamine?
The InChIKey is YUFSIOKDHLZVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NOS/c14-13-11(12-7-4-8-15-12)9-10-5-2-1-3-6-10/h1-8,14H,9H2.
What are the key properties of N-(2-phenyl-1-thiophen-2-ylethylidene)hydroxylamine?
N-(2-phenyl-1-thiophen-2-ylethylidene)hydroxylamine has a molecular weight of 217.29 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenyl-1-thiophen-2-ylethylidene)hydroxylamine is sourced from PubChem (CID 71948509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).