2-(4-bromothiophen-2-yl)-2-(oxetan-3-ylsulfanyl)ethanamine

C9H12BrNOS2 — CID 79326165

IUPAC2-(4-bromothiophen-2-yl)-2-(oxetan-3-ylsulfanyl)ethanamine
SMILESNCC(SC1COC1)c1cc(Br)cs1
InChIInChI=1S/C9H12BrNOS2/c10-6-1-8(13-5-6)9(2-11)14-7-3-12-4-7/h1,5,7,9H,2-4,11H2
InChIKeyCEHDIODWZOTGOR-UHFFFAOYSA-N
MW294.24 g/mol
LogP2.64
Rot. Bonds4

About 2-(4-bromothiophen-2-yl)-2-(oxetan-3-ylsulfanyl)ethanamine

2-(4-bromothiophen-2-yl)-2-(oxetan-3-ylsulfanyl)ethanamine (PubChem CID 79326165) has the molecular formula C9H12BrNOS2 and a molecular weight of 294.24 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-2-(oxetan-3-ylsulfanyl)ethanamine.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-2-(oxetan-3-ylsulfanyl)ethanamine
PubChem CID79326165
Molecular FormulaC9H12BrNOS2
Molecular Weight294.24 g/mol
Exact Mass292.95
IUPAC Name2-(4-bromothiophen-2-yl)-2-(oxetan-3-ylsulfanyl)ethanamine
SMILESNCC(SC1COC1)c1cc(Br)cs1
InChIInChI=1S/C9H12BrNOS2/c10-6-1-8(13-5-6)9(2-11)14-7-3-12-4-7/h1,5,7,9H,2-4,11H2
InChIKeyCEHDIODWZOTGOR-UHFFFAOYSA-N
XLogP2.64
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.24
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-bromothiophen-2-yl)-2-(oxetan-3-ylsulfanyl)ethanamine 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 2-(4-bromothiophen-2-yl)-2-(oxetan-3-ylsulfanyl)ethanamine?
The IUPAC name of 2-(4-bromothiophen-2-yl)-2-(oxetan-3-ylsulfanyl)ethanamine (CID 79326165) is 2-(4-bromothiophen-2-yl)-2-(oxetan-3-ylsulfanyl)ethanamine.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-2-(oxetan-3-ylsulfanyl)ethanamine?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-2-(oxetan-3-ylsulfanyl)ethanamine is NCC(SC1COC1)c1cc(Br)cs1.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-2-(oxetan-3-ylsulfanyl)ethanamine?
The InChIKey is CEHDIODWZOTGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNOS2/c10-6-1-8(13-5-6)9(2-11)14-7-3-12-4-7/h1,5,7,9H,2-4,11H2.
What are the key properties of 2-(4-bromothiophen-2-yl)-2-(oxetan-3-ylsulfanyl)ethanamine?
2-(4-bromothiophen-2-yl)-2-(oxetan-3-ylsulfanyl)ethanamine has a molecular weight of 294.24 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-2-yl)-2-(oxetan-3-ylsulfanyl)ethanamine is sourced from PubChem (CID 79326165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).