N-[(3-aminothiophen-2-yl)methyl]hydroxylamine

C5H8N2OS — CID 82687068

IUPACN-[(3-aminothiophen-2-yl)methyl]hydroxylamine
SMILESNc1ccsc1CNO
InChIInChI=1S/C5H8N2OS/c6-4-1-2-9-5(4)3-7-8/h1-2,7-8H,3,6H2
InChIKeyORXWRRBYNVBSQY-UHFFFAOYSA-N
MW144.20 g/mol
LogP0.81
Rot. Bonds2

About N-[(3-aminothiophen-2-yl)methyl]hydroxylamine

N-[(3-aminothiophen-2-yl)methyl]hydroxylamine (PubChem CID 82687068) has the molecular formula C5H8N2OS and a molecular weight of 144.20 g/mol. Its IUPAC name is N-[(3-aminothiophen-2-yl)methyl]hydroxylamine.

Molecular Properties

Compound NameN-[(3-aminothiophen-2-yl)methyl]hydroxylamine
PubChem CID82687068
Molecular FormulaC5H8N2OS
Molecular Weight144.20 g/mol
Exact Mass144.04
IUPAC NameN-[(3-aminothiophen-2-yl)methyl]hydroxylamine
SMILESNc1ccsc1CNO
InChIInChI=1S/C5H8N2OS/c6-4-1-2-9-5(4)3-7-8/h1-2,7-8H,3,6H2
InChIKeyORXWRRBYNVBSQY-UHFFFAOYSA-N
XLogP0.81
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.20
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(3-aminothiophen-2-yl)methyl]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 N-[(3-aminothiophen-2-yl)methyl]hydroxylamine?
The IUPAC name of N-[(3-aminothiophen-2-yl)methyl]hydroxylamine (CID 82687068) is N-[(3-aminothiophen-2-yl)methyl]hydroxylamine.
What is the SMILES notation for N-[(3-aminothiophen-2-yl)methyl]hydroxylamine?
The canonical SMILES for N-[(3-aminothiophen-2-yl)methyl]hydroxylamine is Nc1ccsc1CNO.
What is the InChIKey of N-[(3-aminothiophen-2-yl)methyl]hydroxylamine?
The InChIKey is ORXWRRBYNVBSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2OS/c6-4-1-2-9-5(4)3-7-8/h1-2,7-8H,3,6H2.
What are the key properties of N-[(3-aminothiophen-2-yl)methyl]hydroxylamine?
N-[(3-aminothiophen-2-yl)methyl]hydroxylamine has a molecular weight of 144.20 g/mol, XLogP of 0.81, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminothiophen-2-yl)methyl]hydroxylamine is sourced from PubChem (CID 82687068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).