O-(1-benzothiophen-2-ylmethyl)hydroxylamine

C9H9NOS — CID 117194307

IUPACO-(1-benzothiophen-2-ylmethyl)hydroxylamine
SMILESNOCc1cc2ccccc2s1
InChIInChI=1S/C9H9NOS/c10-11-6-8-5-7-3-1-2-4-9(7)12-8/h1-5H,6,10H2
InChIKeyITLFSJUWNGPMKH-UHFFFAOYSA-N
MW179.24 g/mol
LogP2.29
Rot. Bonds2

About O-(1-benzothiophen-2-ylmethyl)hydroxylamine

O-(1-benzothiophen-2-ylmethyl)hydroxylamine (PubChem CID 117194307) has the molecular formula C9H9NOS and a molecular weight of 179.24 g/mol. Its IUPAC name is O-(1-benzothiophen-2-ylmethyl)hydroxylamine.

Molecular Properties

Compound NameO-(1-benzothiophen-2-ylmethyl)hydroxylamine
PubChem CID117194307
Molecular FormulaC9H9NOS
Molecular Weight179.24 g/mol
Exact Mass179.04
IUPAC NameO-(1-benzothiophen-2-ylmethyl)hydroxylamine
SMILESNOCc1cc2ccccc2s1
InChIInChI=1S/C9H9NOS/c10-11-6-8-5-7-3-1-2-4-9(7)12-8/h1-5H,6,10H2
InChIKeyITLFSJUWNGPMKH-UHFFFAOYSA-N
XLogP2.29
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze O-(1-benzothiophen-2-ylmethyl)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 O-(1-benzothiophen-2-ylmethyl)hydroxylamine?
The IUPAC name of O-(1-benzothiophen-2-ylmethyl)hydroxylamine (CID 117194307) is O-(1-benzothiophen-2-ylmethyl)hydroxylamine.
What is the SMILES notation for O-(1-benzothiophen-2-ylmethyl)hydroxylamine?
The canonical SMILES for O-(1-benzothiophen-2-ylmethyl)hydroxylamine is NOCc1cc2ccccc2s1.
What is the InChIKey of O-(1-benzothiophen-2-ylmethyl)hydroxylamine?
The InChIKey is ITLFSJUWNGPMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NOS/c10-11-6-8-5-7-3-1-2-4-9(7)12-8/h1-5H,6,10H2.
What are the key properties of O-(1-benzothiophen-2-ylmethyl)hydroxylamine?
O-(1-benzothiophen-2-ylmethyl)hydroxylamine has a molecular weight of 179.24 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-(1-benzothiophen-2-ylmethyl)hydroxylamine is sourced from PubChem (CID 117194307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).