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

C6H7NOS — CID 16061

IUPACN-(1-thiophen-2-ylethylidene)hydroxylamine
SMILESCC(=NO)c1cccs1
InChIInChI=1S/C6H7NOS/c1-5(7-8)6-3-2-4-9-6/h2-4,8H,1H3
InChIKeyHODHTVIKKXGOCP-UHFFFAOYSA-N
MW141.19 g/mol
LogP1.95
Rot. Bonds1

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

N-(1-thiophen-2-ylethylidene)hydroxylamine (PubChem CID 16061) has the molecular formula C6H7NOS and a molecular weight of 141.19 g/mol. Its IUPAC name is N-(1-thiophen-2-ylethylidene)hydroxylamine.

Molecular Properties

Compound NameN-(1-thiophen-2-ylethylidene)hydroxylamine
PubChem CID16061
Molecular FormulaC6H7NOS
Molecular Weight141.19 g/mol
Exact Mass141.02
IUPAC NameN-(1-thiophen-2-ylethylidene)hydroxylamine
SMILESCC(=NO)c1cccs1
InChIInChI=1S/C6H7NOS/c1-5(7-8)6-3-2-4-9-6/h2-4,8H,1H3
InChIKeyHODHTVIKKXGOCP-UHFFFAOYSA-N
XLogP1.95
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 51.95
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-(1-thiophen-2-ylethylidene)hydroxylamine?
The IUPAC name of N-(1-thiophen-2-ylethylidene)hydroxylamine (CID 16061) is N-(1-thiophen-2-ylethylidene)hydroxylamine.
What is the SMILES notation for N-(1-thiophen-2-ylethylidene)hydroxylamine?
The canonical SMILES for N-(1-thiophen-2-ylethylidene)hydroxylamine is CC(=NO)c1cccs1.
What is the InChIKey of N-(1-thiophen-2-ylethylidene)hydroxylamine?
The InChIKey is HODHTVIKKXGOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NOS/c1-5(7-8)6-3-2-4-9-6/h2-4,8H,1H3.
What are the key properties of N-(1-thiophen-2-ylethylidene)hydroxylamine?
N-(1-thiophen-2-ylethylidene)hydroxylamine has a molecular weight of 141.19 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-thiophen-2-ylethylidene)hydroxylamine is sourced from PubChem (CID 16061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).