1-(2,6-dimethylmorpholin-4-yl)-2-thiophen-2-ylethanone

C12H17NO2S — CID 2905208

IUPAC1-(2,6-dimethylmorpholin-4-yl)-2-thiophen-2-ylethanone
SMILESCC1CN(C(=O)Cc2cccs2)CC(C)O1
InChIInChI=1S/C12H17NO2S/c1-9-7-13(8-10(2)15-9)12(14)6-11-4-3-5-16-11/h3-5,9-10H,6-8H2,1-2H3
InChIKeyQFTWYKRKYBJFNQ-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.93
Rot. Bonds2

About 1-(2,6-dimethylmorpholin-4-yl)-2-thiophen-2-ylethanone

1-(2,6-dimethylmorpholin-4-yl)-2-thiophen-2-ylethanone (PubChem CID 2905208) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is 1-(2,6-dimethylmorpholin-4-yl)-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-(2,6-dimethylmorpholin-4-yl)-2-thiophen-2-ylethanone
PubChem CID2905208
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name1-(2,6-dimethylmorpholin-4-yl)-2-thiophen-2-ylethanone
SMILESCC1CN(C(=O)Cc2cccs2)CC(C)O1
InChIInChI=1S/C12H17NO2S/c1-9-7-13(8-10(2)15-9)12(14)6-11-4-3-5-16-11/h3-5,9-10H,6-8H2,1-2H3
InChIKeyQFTWYKRKYBJFNQ-UHFFFAOYSA-N
XLogP1.93
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-2-thiophen-2-ylethanone?
The IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-2-thiophen-2-ylethanone (CID 2905208) is 1-(2,6-dimethylmorpholin-4-yl)-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-(2,6-dimethylmorpholin-4-yl)-2-thiophen-2-ylethanone?
The canonical SMILES for 1-(2,6-dimethylmorpholin-4-yl)-2-thiophen-2-ylethanone is CC1CN(C(=O)Cc2cccs2)CC(C)O1.
What is the InChIKey of 1-(2,6-dimethylmorpholin-4-yl)-2-thiophen-2-ylethanone?
The InChIKey is QFTWYKRKYBJFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-9-7-13(8-10(2)15-9)12(14)6-11-4-3-5-16-11/h3-5,9-10H,6-8H2,1-2H3.
What are the key properties of 1-(2,6-dimethylmorpholin-4-yl)-2-thiophen-2-ylethanone?
1-(2,6-dimethylmorpholin-4-yl)-2-thiophen-2-ylethanone has a molecular weight of 239.34 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylmorpholin-4-yl)-2-thiophen-2-ylethanone is sourced from PubChem (CID 2905208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).