4-(4-methoxy-1-benzothiophen-2-yl)morpholine

C13H15NO2S — CID 155288906

IUPAC4-(4-methoxy-1-benzothiophen-2-yl)morpholine
SMILESCOc1cccc2sc(N3CCOCC3)cc12
InChIInChI=1S/C13H15NO2S/c1-15-11-3-2-4-12-10(11)9-13(17-12)14-5-7-16-8-6-14/h2-4,9H,5-8H2,1H3
InChIKeyDLHQDSUFBAMGRQ-UHFFFAOYSA-N
MW249.33 g/mol
LogP2.75
Rot. Bonds2

About 4-(4-methoxy-1-benzothiophen-2-yl)morpholine

4-(4-methoxy-1-benzothiophen-2-yl)morpholine (PubChem CID 155288906) has the molecular formula C13H15NO2S and a molecular weight of 249.33 g/mol. Its IUPAC name is 4-(4-methoxy-1-benzothiophen-2-yl)morpholine.

Molecular Properties

Compound Name4-(4-methoxy-1-benzothiophen-2-yl)morpholine
PubChem CID155288906
Molecular FormulaC13H15NO2S
Molecular Weight249.33 g/mol
Exact Mass249.08
IUPAC Name4-(4-methoxy-1-benzothiophen-2-yl)morpholine
SMILESCOc1cccc2sc(N3CCOCC3)cc12
InChIInChI=1S/C13H15NO2S/c1-15-11-3-2-4-12-10(11)9-13(17-12)14-5-7-16-8-6-14/h2-4,9H,5-8H2,1H3
InChIKeyDLHQDSUFBAMGRQ-UHFFFAOYSA-N
XLogP2.75
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-1-benzothiophen-2-yl)morpholine?
The IUPAC name of 4-(4-methoxy-1-benzothiophen-2-yl)morpholine (CID 155288906) is 4-(4-methoxy-1-benzothiophen-2-yl)morpholine.
What is the SMILES notation for 4-(4-methoxy-1-benzothiophen-2-yl)morpholine?
The canonical SMILES for 4-(4-methoxy-1-benzothiophen-2-yl)morpholine is COc1cccc2sc(N3CCOCC3)cc12.
What is the InChIKey of 4-(4-methoxy-1-benzothiophen-2-yl)morpholine?
The InChIKey is DLHQDSUFBAMGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2S/c1-15-11-3-2-4-12-10(11)9-13(17-12)14-5-7-16-8-6-14/h2-4,9H,5-8H2,1H3.
What are the key properties of 4-(4-methoxy-1-benzothiophen-2-yl)morpholine?
4-(4-methoxy-1-benzothiophen-2-yl)morpholine has a molecular weight of 249.33 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-1-benzothiophen-2-yl)morpholine is sourced from PubChem (CID 155288906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).