1-benzothiophen-2-yl(morpholin-4-yl)methanone

C13H13NO2S — CID 2798285

IUPAC1-benzothiophen-2-yl(morpholin-4-yl)methanone
SMILESO=C(c1cc2ccccc2s1)N1CCOCC1
InChIInChI=1S/C13H13NO2S/c15-13(14-5-7-16-8-6-14)12-9-10-3-1-2-4-11(10)17-12/h1-4,9H,5-8H2
InChIKeyBQBXBCPUICXXRC-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.37
Rot. Bonds1

About 1-benzothiophen-2-yl(morpholin-4-yl)methanone

1-benzothiophen-2-yl(morpholin-4-yl)methanone (PubChem CID 2798285) has the molecular formula C13H13NO2S and a molecular weight of 247.32 g/mol. Its IUPAC name is 1-benzothiophen-2-yl(morpholin-4-yl)methanone.

Molecular Properties

Compound Name1-benzothiophen-2-yl(morpholin-4-yl)methanone
PubChem CID2798285
Molecular FormulaC13H13NO2S
Molecular Weight247.32 g/mol
Exact Mass247.07
IUPAC Name1-benzothiophen-2-yl(morpholin-4-yl)methanone
SMILESO=C(c1cc2ccccc2s1)N1CCOCC1
InChIInChI=1S/C13H13NO2S/c15-13(14-5-7-16-8-6-14)12-9-10-3-1-2-4-11(10)17-12/h1-4,9H,5-8H2
InChIKeyBQBXBCPUICXXRC-UHFFFAOYSA-N
XLogP2.37
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-2-yl(morpholin-4-yl)methanone?
The IUPAC name of 1-benzothiophen-2-yl(morpholin-4-yl)methanone (CID 2798285) is 1-benzothiophen-2-yl(morpholin-4-yl)methanone.
What is the SMILES notation for 1-benzothiophen-2-yl(morpholin-4-yl)methanone?
The canonical SMILES for 1-benzothiophen-2-yl(morpholin-4-yl)methanone is O=C(c1cc2ccccc2s1)N1CCOCC1.
What is the InChIKey of 1-benzothiophen-2-yl(morpholin-4-yl)methanone?
The InChIKey is BQBXBCPUICXXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2S/c15-13(14-5-7-16-8-6-14)12-9-10-3-1-2-4-11(10)17-12/h1-4,9H,5-8H2.
What are the key properties of 1-benzothiophen-2-yl(morpholin-4-yl)methanone?
1-benzothiophen-2-yl(morpholin-4-yl)methanone has a molecular weight of 247.32 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-2-yl(morpholin-4-yl)methanone is sourced from PubChem (CID 2798285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).