2-(4-bromothiophen-2-yl)-6-pentan-3-ylmorpholine

C13H20BrNOS — CID 114168847

IUPAC2-(4-bromothiophen-2-yl)-6-pentan-3-ylmorpholine
SMILESCCC(CC)C1CNCC(c2cc(Br)cs2)O1
InChIInChI=1S/C13H20BrNOS/c1-3-9(4-2)11-6-15-7-12(16-11)13-5-10(14)8-17-13/h5,8-9,11-12,15H,3-4,6-7H2,1-2H3
InChIKeySTXMFDSJKCELRY-UHFFFAOYSA-N
MW318.28 g/mol
LogP3.98
Rot. Bonds4

About 2-(4-bromothiophen-2-yl)-6-pentan-3-ylmorpholine

2-(4-bromothiophen-2-yl)-6-pentan-3-ylmorpholine (PubChem CID 114168847) has the molecular formula C13H20BrNOS and a molecular weight of 318.28 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-6-pentan-3-ylmorpholine.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-6-pentan-3-ylmorpholine
PubChem CID114168847
Molecular FormulaC13H20BrNOS
Molecular Weight318.28 g/mol
Exact Mass317.04
IUPAC Name2-(4-bromothiophen-2-yl)-6-pentan-3-ylmorpholine
SMILESCCC(CC)C1CNCC(c2cc(Br)cs2)O1
InChIInChI=1S/C13H20BrNOS/c1-3-9(4-2)11-6-15-7-12(16-11)13-5-10(14)8-17-13/h5,8-9,11-12,15H,3-4,6-7H2,1-2H3
InChIKeySTXMFDSJKCELRY-UHFFFAOYSA-N
XLogP3.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.28
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-6-pentan-3-ylmorpholine?
The IUPAC name of 2-(4-bromothiophen-2-yl)-6-pentan-3-ylmorpholine (CID 114168847) is 2-(4-bromothiophen-2-yl)-6-pentan-3-ylmorpholine.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-6-pentan-3-ylmorpholine?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-6-pentan-3-ylmorpholine is CCC(CC)C1CNCC(c2cc(Br)cs2)O1.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-6-pentan-3-ylmorpholine?
The InChIKey is STXMFDSJKCELRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNOS/c1-3-9(4-2)11-6-15-7-12(16-11)13-5-10(14)8-17-13/h5,8-9,11-12,15H,3-4,6-7H2,1-2H3.
What are the key properties of 2-(4-bromothiophen-2-yl)-6-pentan-3-ylmorpholine?
2-(4-bromothiophen-2-yl)-6-pentan-3-ylmorpholine has a molecular weight of 318.28 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-2-yl)-6-pentan-3-ylmorpholine is sourced from PubChem (CID 114168847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).