(NE)-N-[1-(3,5-dibromothiophen-2-yl)ethylidene]hydroxylamine

C6H5Br2NOS — CID 14113370

IUPAC(NE)-N-[1-(3,5-dibromothiophen-2-yl)ethylidene]hydroxylamine
SMILESC/C(=N\O)c1sc(Br)cc1Br
InChIInChI=1S/C6H5Br2NOS/c1-3(9-10)6-4(7)2-5(8)11-6/h2,10H,1H3/b9-3+
InChIKeyQQVRZVMDTLUMJY-YCRREMRBSA-N
MW298.99 g/mol
LogP3.47
Rot. Bonds1

About (NE)-N-[1-(3,5-dibromothiophen-2-yl)ethylidene]hydroxylamine

(NE)-N-[1-(3,5-dibromothiophen-2-yl)ethylidene]hydroxylamine (PubChem CID 14113370) has the molecular formula C6H5Br2NOS and a molecular weight of 298.99 g/mol. Its IUPAC name is (NE)-N-[1-(3,5-dibromothiophen-2-yl)ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-(3,5-dibromothiophen-2-yl)ethylidene]hydroxylamine
PubChem CID14113370
Molecular FormulaC6H5Br2NOS
Molecular Weight298.99 g/mol
Exact Mass296.85
IUPAC Name(NE)-N-[1-(3,5-dibromothiophen-2-yl)ethylidene]hydroxylamine
SMILESC/C(=N\O)c1sc(Br)cc1Br
InChIInChI=1S/C6H5Br2NOS/c1-3(9-10)6-4(7)2-5(8)11-6/h2,10H,1H3/b9-3+
InChIKeyQQVRZVMDTLUMJY-YCRREMRBSA-N
XLogP3.47
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.99
LogP ≤ 53.47
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'}

Analyze (NE)-N-[1-(3,5-dibromothiophen-2-yl)ethylidene]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-(3,5-dibromothiophen-2-yl)ethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-(3,5-dibromothiophen-2-yl)ethylidene]hydroxylamine (CID 14113370) is (NE)-N-[1-(3,5-dibromothiophen-2-yl)ethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-(3,5-dibromothiophen-2-yl)ethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-(3,5-dibromothiophen-2-yl)ethylidene]hydroxylamine is C/C(=N\O)c1sc(Br)cc1Br.
What is the InChIKey of (NE)-N-[1-(3,5-dibromothiophen-2-yl)ethylidene]hydroxylamine?
The InChIKey is QQVRZVMDTLUMJY-YCRREMRBSA-N. The full InChI is InChI=1S/C6H5Br2NOS/c1-3(9-10)6-4(7)2-5(8)11-6/h2,10H,1H3/b9-3+.
What are the key properties of (NE)-N-[1-(3,5-dibromothiophen-2-yl)ethylidene]hydroxylamine?
(NE)-N-[1-(3,5-dibromothiophen-2-yl)ethylidene]hydroxylamine has a molecular weight of 298.99 g/mol, XLogP of 3.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-(3,5-dibromothiophen-2-yl)ethylidene]hydroxylamine is sourced from PubChem (CID 14113370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).