4-[1-(5-bromothiophen-2-yl)ethyl]morpholine

C10H14BrNOS — CID 67046594

IUPAC4-[1-(5-bromothiophen-2-yl)ethyl]morpholine
SMILESCC(c1ccc(Br)s1)N1CCOCC1
InChIInChI=1S/C10H14BrNOS/c1-8(9-2-3-10(11)14-9)12-4-6-13-7-5-12/h2-3,8H,4-7H2,1H3
InChIKeyNIMIVEJAQIEPKF-UHFFFAOYSA-N
MW276.20 g/mol
LogP2.90
Rot. Bonds2

About 4-[1-(5-bromothiophen-2-yl)ethyl]morpholine

4-[1-(5-bromothiophen-2-yl)ethyl]morpholine (PubChem CID 67046594) has the molecular formula C10H14BrNOS and a molecular weight of 276.20 g/mol. Its IUPAC name is 4-[1-(5-bromothiophen-2-yl)ethyl]morpholine.

Molecular Properties

Compound Name4-[1-(5-bromothiophen-2-yl)ethyl]morpholine
PubChem CID67046594
Molecular FormulaC10H14BrNOS
Molecular Weight276.20 g/mol
Exact Mass275.00
IUPAC Name4-[1-(5-bromothiophen-2-yl)ethyl]morpholine
SMILESCC(c1ccc(Br)s1)N1CCOCC1
InChIInChI=1S/C10H14BrNOS/c1-8(9-2-3-10(11)14-9)12-4-6-13-7-5-12/h2-3,8H,4-7H2,1H3
InChIKeyNIMIVEJAQIEPKF-UHFFFAOYSA-N
XLogP2.90
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.20
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(5-bromothiophen-2-yl)ethyl]morpholine?
The IUPAC name of 4-[1-(5-bromothiophen-2-yl)ethyl]morpholine (CID 67046594) is 4-[1-(5-bromothiophen-2-yl)ethyl]morpholine.
What is the SMILES notation for 4-[1-(5-bromothiophen-2-yl)ethyl]morpholine?
The canonical SMILES for 4-[1-(5-bromothiophen-2-yl)ethyl]morpholine is CC(c1ccc(Br)s1)N1CCOCC1.
What is the InChIKey of 4-[1-(5-bromothiophen-2-yl)ethyl]morpholine?
The InChIKey is NIMIVEJAQIEPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNOS/c1-8(9-2-3-10(11)14-9)12-4-6-13-7-5-12/h2-3,8H,4-7H2,1H3.
What are the key properties of 4-[1-(5-bromothiophen-2-yl)ethyl]morpholine?
4-[1-(5-bromothiophen-2-yl)ethyl]morpholine has a molecular weight of 276.20 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(5-bromothiophen-2-yl)ethyl]morpholine is sourced from PubChem (CID 67046594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).