[5-(4-bromothiophen-3-yl)oxolan-2-yl]methanamine

C9H12BrNOS — CID 130583645

IUPAC[5-(4-bromothiophen-3-yl)oxolan-2-yl]methanamine
SMILESNCC1CCC(c2cscc2Br)O1
InChIInChI=1S/C9H12BrNOS/c10-8-5-13-4-7(8)9-2-1-6(3-11)12-9/h4-6,9H,1-3,11H2
InChIKeyPAJXOEHJIQHKCW-UHFFFAOYSA-N
MW262.17 g/mol
LogP2.69
Rot. Bonds2

About [5-(4-bromothiophen-3-yl)oxolan-2-yl]methanamine

[5-(4-bromothiophen-3-yl)oxolan-2-yl]methanamine (PubChem CID 130583645) has the molecular formula C9H12BrNOS and a molecular weight of 262.17 g/mol. Its IUPAC name is [5-(4-bromothiophen-3-yl)oxolan-2-yl]methanamine.

Molecular Properties

Compound Name[5-(4-bromothiophen-3-yl)oxolan-2-yl]methanamine
PubChem CID130583645
Molecular FormulaC9H12BrNOS
Molecular Weight262.17 g/mol
Exact Mass260.98
IUPAC Name[5-(4-bromothiophen-3-yl)oxolan-2-yl]methanamine
SMILESNCC1CCC(c2cscc2Br)O1
InChIInChI=1S/C9H12BrNOS/c10-8-5-13-4-7(8)9-2-1-6(3-11)12-9/h4-6,9H,1-3,11H2
InChIKeyPAJXOEHJIQHKCW-UHFFFAOYSA-N
XLogP2.69
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.17
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(4-bromothiophen-3-yl)oxolan-2-yl]methanamine?
The IUPAC name of [5-(4-bromothiophen-3-yl)oxolan-2-yl]methanamine (CID 130583645) is [5-(4-bromothiophen-3-yl)oxolan-2-yl]methanamine.
What is the SMILES notation for [5-(4-bromothiophen-3-yl)oxolan-2-yl]methanamine?
The canonical SMILES for [5-(4-bromothiophen-3-yl)oxolan-2-yl]methanamine is NCC1CCC(c2cscc2Br)O1.
What is the InChIKey of [5-(4-bromothiophen-3-yl)oxolan-2-yl]methanamine?
The InChIKey is PAJXOEHJIQHKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNOS/c10-8-5-13-4-7(8)9-2-1-6(3-11)12-9/h4-6,9H,1-3,11H2.
What are the key properties of [5-(4-bromothiophen-3-yl)oxolan-2-yl]methanamine?
[5-(4-bromothiophen-3-yl)oxolan-2-yl]methanamine has a molecular weight of 262.17 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-bromothiophen-3-yl)oxolan-2-yl]methanamine is sourced from PubChem (CID 130583645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).