1-(2-methylmorpholin-4-yl)-2-thiophen-3-ylethanone

C11H15NO2S — CID 42938372

IUPAC1-(2-methylmorpholin-4-yl)-2-thiophen-3-ylethanone
SMILESCC1CN(C(=O)Cc2ccsc2)CCO1
InChIInChI=1S/C11H15NO2S/c1-9-7-12(3-4-14-9)11(13)6-10-2-5-15-8-10/h2,5,8-9H,3-4,6-7H2,1H3
InChIKeyDTRKXTDJYFGDLN-UHFFFAOYSA-N
MW225.31 g/mol
LogP1.54
Rot. Bonds2

About 1-(2-methylmorpholin-4-yl)-2-thiophen-3-ylethanone

1-(2-methylmorpholin-4-yl)-2-thiophen-3-ylethanone (PubChem CID 42938372) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is 1-(2-methylmorpholin-4-yl)-2-thiophen-3-ylethanone.

Molecular Properties

Compound Name1-(2-methylmorpholin-4-yl)-2-thiophen-3-ylethanone
PubChem CID42938372
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name1-(2-methylmorpholin-4-yl)-2-thiophen-3-ylethanone
SMILESCC1CN(C(=O)Cc2ccsc2)CCO1
InChIInChI=1S/C11H15NO2S/c1-9-7-12(3-4-14-9)11(13)6-10-2-5-15-8-10/h2,5,8-9H,3-4,6-7H2,1H3
InChIKeyDTRKXTDJYFGDLN-UHFFFAOYSA-N
XLogP1.54
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylmorpholin-4-yl)-2-thiophen-3-ylethanone?
The IUPAC name of 1-(2-methylmorpholin-4-yl)-2-thiophen-3-ylethanone (CID 42938372) is 1-(2-methylmorpholin-4-yl)-2-thiophen-3-ylethanone.
What is the SMILES notation for 1-(2-methylmorpholin-4-yl)-2-thiophen-3-ylethanone?
The canonical SMILES for 1-(2-methylmorpholin-4-yl)-2-thiophen-3-ylethanone is CC1CN(C(=O)Cc2ccsc2)CCO1.
What is the InChIKey of 1-(2-methylmorpholin-4-yl)-2-thiophen-3-ylethanone?
The InChIKey is DTRKXTDJYFGDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-9-7-12(3-4-14-9)11(13)6-10-2-5-15-8-10/h2,5,8-9H,3-4,6-7H2,1H3.
What are the key properties of 1-(2-methylmorpholin-4-yl)-2-thiophen-3-ylethanone?
1-(2-methylmorpholin-4-yl)-2-thiophen-3-ylethanone has a molecular weight of 225.31 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylmorpholin-4-yl)-2-thiophen-3-ylethanone is sourced from PubChem (CID 42938372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).