3-(5-bromothiophen-2-yl)oxetan-3-amine

C7H8BrNOS — CID 116872629

IUPAC3-(5-bromothiophen-2-yl)oxetan-3-amine
SMILESNC1(c2ccc(Br)s2)COC1
InChIInChI=1S/C7H8BrNOS/c8-6-2-1-5(11-6)7(9)3-10-4-7/h1-2H,3-4,9H2
InChIKeyQQYQKTGHANPHQG-UHFFFAOYSA-N
MW234.12 g/mol
LogP1.69
Rot. Bonds1

About 3-(5-bromothiophen-2-yl)oxetan-3-amine

3-(5-bromothiophen-2-yl)oxetan-3-amine (PubChem CID 116872629) has the molecular formula C7H8BrNOS and a molecular weight of 234.12 g/mol. Its IUPAC name is 3-(5-bromothiophen-2-yl)oxetan-3-amine.

Molecular Properties

Compound Name3-(5-bromothiophen-2-yl)oxetan-3-amine
PubChem CID116872629
Molecular FormulaC7H8BrNOS
Molecular Weight234.12 g/mol
Exact Mass232.95
IUPAC Name3-(5-bromothiophen-2-yl)oxetan-3-amine
SMILESNC1(c2ccc(Br)s2)COC1
InChIInChI=1S/C7H8BrNOS/c8-6-2-1-5(11-6)7(9)3-10-4-7/h1-2H,3-4,9H2
InChIKeyQQYQKTGHANPHQG-UHFFFAOYSA-N
XLogP1.69
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.12
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromothiophen-2-yl)oxetan-3-amine?
The IUPAC name of 3-(5-bromothiophen-2-yl)oxetan-3-amine (CID 116872629) is 3-(5-bromothiophen-2-yl)oxetan-3-amine.
What is the SMILES notation for 3-(5-bromothiophen-2-yl)oxetan-3-amine?
The canonical SMILES for 3-(5-bromothiophen-2-yl)oxetan-3-amine is NC1(c2ccc(Br)s2)COC1.
What is the InChIKey of 3-(5-bromothiophen-2-yl)oxetan-3-amine?
The InChIKey is QQYQKTGHANPHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNOS/c8-6-2-1-5(11-6)7(9)3-10-4-7/h1-2H,3-4,9H2.
What are the key properties of 3-(5-bromothiophen-2-yl)oxetan-3-amine?
3-(5-bromothiophen-2-yl)oxetan-3-amine has a molecular weight of 234.12 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromothiophen-2-yl)oxetan-3-amine is sourced from PubChem (CID 116872629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).