[3-(4-bromothiophen-2-yl)oxetan-3-yl]methanamine

C8H10BrNOS — CID 116829631

IUPAC[3-(4-bromothiophen-2-yl)oxetan-3-yl]methanamine
SMILESNCC1(c2cc(Br)cs2)COC1
InChIInChI=1S/C8H10BrNOS/c9-6-1-7(12-2-6)8(3-10)4-11-5-8/h1-2H,3-5,10H2
InChIKeyRGOHQUSQTIYNAR-UHFFFAOYSA-N
MW248.14 g/mol
LogP1.74
Rot. Bonds2

About [3-(4-bromothiophen-2-yl)oxetan-3-yl]methanamine

[3-(4-bromothiophen-2-yl)oxetan-3-yl]methanamine (PubChem CID 116829631) has the molecular formula C8H10BrNOS and a molecular weight of 248.14 g/mol. Its IUPAC name is [3-(4-bromothiophen-2-yl)oxetan-3-yl]methanamine.

Molecular Properties

Compound Name[3-(4-bromothiophen-2-yl)oxetan-3-yl]methanamine
PubChem CID116829631
Molecular FormulaC8H10BrNOS
Molecular Weight248.14 g/mol
Exact Mass246.97
IUPAC Name[3-(4-bromothiophen-2-yl)oxetan-3-yl]methanamine
SMILESNCC1(c2cc(Br)cs2)COC1
InChIInChI=1S/C8H10BrNOS/c9-6-1-7(12-2-6)8(3-10)4-11-5-8/h1-2H,3-5,10H2
InChIKeyRGOHQUSQTIYNAR-UHFFFAOYSA-N
XLogP1.74
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.14
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-(4-bromothiophen-2-yl)oxetan-3-yl]methanamine with MolForge

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

Launch Full Analysis

Related Compounds

2-[3-(4-bromothiophen-2-yl)oxetan-3-yl]ethanethiol
CID 116872566
[1-[3-(4-bromothiophen-2-yl)oxetan-3-yl]cyclobutyl]methanamine
CID 116874944
N-[[3-(4-bromothiophen-2-yl)oxetan-3-yl]methyl]propan-2-amine
CID 116870593
1-[[3-(4-bromothiophen-2-yl)oxetan-3-yl]methyl]piperazine
CID 116873099
[3-[4-(4-bromothiophen-2-yl)pyrimidin-2-yl]oxetan-3-yl]methanamine
CID 116902971
[3-(aminomethyl)oxetan-3-yl]-(4-bromothiophen-2-yl)methanamine
CID 116944962
1-[3-(4-bromothiophen-2-yl)oxetan-3-yl]ethanone
CID 116873739
2-[3-(4-bromothiophen-2-yl)oxetan-3-yl]-3-methylbutan-1-ol
CID 116875387
[3-(2-methyl-1,3-thiazol-4-yl)oxetan-3-yl]methanamine
CID 116891202
[1-[(4-bromothiophen-2-yl)methyl]cyclopropyl]methanamine
CID 66025971
3-[3-(4-bromothiophen-2-yl)oxetan-3-yl]-N-methylaniline
CID 116871185
2-[3-(4-methylthiophen-2-yl)oxetan-3-yl]ethanol
CID 175425789

Frequently Asked Questions

What is the IUPAC name of [3-(4-bromothiophen-2-yl)oxetan-3-yl]methanamine?
The IUPAC name of [3-(4-bromothiophen-2-yl)oxetan-3-yl]methanamine (CID 116829631) is [3-(4-bromothiophen-2-yl)oxetan-3-yl]methanamine.
What is the SMILES notation for [3-(4-bromothiophen-2-yl)oxetan-3-yl]methanamine?
The canonical SMILES for [3-(4-bromothiophen-2-yl)oxetan-3-yl]methanamine is NCC1(c2cc(Br)cs2)COC1.
What is the InChIKey of [3-(4-bromothiophen-2-yl)oxetan-3-yl]methanamine?
The InChIKey is RGOHQUSQTIYNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNOS/c9-6-1-7(12-2-6)8(3-10)4-11-5-8/h1-2H,3-5,10H2.
What are the key properties of [3-(4-bromothiophen-2-yl)oxetan-3-yl]methanamine?
[3-(4-bromothiophen-2-yl)oxetan-3-yl]methanamine has a molecular weight of 248.14 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-bromothiophen-2-yl)oxetan-3-yl]methanamine is sourced from PubChem (CID 116829631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).