4-[(3-bromothiophen-2-yl)methyl]morpholine

C9H12BrNOS — CID 23437847

IUPAC4-[(3-bromothiophen-2-yl)methyl]morpholine
SMILESBrc1ccsc1CN1CCOCC1
InChIInChI=1S/C9H12BrNOS/c10-8-1-6-13-9(8)7-11-2-4-12-5-3-11/h1,6H,2-5,7H2
InChIKeyILEGAMHYBHLLPQ-UHFFFAOYSA-N
MW262.17 g/mol
LogP2.34
Rot. Bonds2

About 4-[(3-bromothiophen-2-yl)methyl]morpholine

4-[(3-bromothiophen-2-yl)methyl]morpholine (PubChem CID 23437847) has the molecular formula C9H12BrNOS and a molecular weight of 262.17 g/mol. Its IUPAC name is 4-[(3-bromothiophen-2-yl)methyl]morpholine.

Molecular Properties

Compound Name4-[(3-bromothiophen-2-yl)methyl]morpholine
PubChem CID23437847
Molecular FormulaC9H12BrNOS
Molecular Weight262.17 g/mol
Exact Mass260.98
IUPAC Name4-[(3-bromothiophen-2-yl)methyl]morpholine
SMILESBrc1ccsc1CN1CCOCC1
InChIInChI=1S/C9H12BrNOS/c10-8-1-6-13-9(8)7-11-2-4-12-5-3-11/h1,6H,2-5,7H2
InChIKeyILEGAMHYBHLLPQ-UHFFFAOYSA-N
XLogP2.34
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.17
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromothiophen-2-yl)methyl]morpholine?
The IUPAC name of 4-[(3-bromothiophen-2-yl)methyl]morpholine (CID 23437847) is 4-[(3-bromothiophen-2-yl)methyl]morpholine.
What is the SMILES notation for 4-[(3-bromothiophen-2-yl)methyl]morpholine?
The canonical SMILES for 4-[(3-bromothiophen-2-yl)methyl]morpholine is Brc1ccsc1CN1CCOCC1.
What is the InChIKey of 4-[(3-bromothiophen-2-yl)methyl]morpholine?
The InChIKey is ILEGAMHYBHLLPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNOS/c10-8-1-6-13-9(8)7-11-2-4-12-5-3-11/h1,6H,2-5,7H2.
What are the key properties of 4-[(3-bromothiophen-2-yl)methyl]morpholine?
4-[(3-bromothiophen-2-yl)methyl]morpholine has a molecular weight of 262.17 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-bromothiophen-2-yl)methyl]morpholine is sourced from PubChem (CID 23437847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).