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

C11H15NO2S — CID 79078299

IUPAC1-(4-methylmorpholin-2-yl)-2-thiophen-3-ylethanone
SMILESCN1CCOC(C(=O)Cc2ccsc2)C1
InChIInChI=1S/C11H15NO2S/c1-12-3-4-14-11(7-12)10(13)6-9-2-5-15-8-9/h2,5,8,11H,3-4,6-7H2,1H3
InChIKeyOISOFXMPEQFAEJ-UHFFFAOYSA-N
MW225.31 g/mol
LogP1.19
Rot. Bonds3

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

1-(4-methylmorpholin-2-yl)-2-thiophen-3-ylethanone (PubChem CID 79078299) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is 1-(4-methylmorpholin-2-yl)-2-thiophen-3-ylethanone.

Molecular Properties

Compound Name1-(4-methylmorpholin-2-yl)-2-thiophen-3-ylethanone
PubChem CID79078299
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name1-(4-methylmorpholin-2-yl)-2-thiophen-3-ylethanone
SMILESCN1CCOC(C(=O)Cc2ccsc2)C1
InChIInChI=1S/C11H15NO2S/c1-12-3-4-14-11(7-12)10(13)6-9-2-5-15-8-9/h2,5,8,11H,3-4,6-7H2,1H3
InChIKeyOISOFXMPEQFAEJ-UHFFFAOYSA-N
XLogP1.19
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylmorpholin-2-yl)-2-thiophen-3-ylethanone?
The IUPAC name of 1-(4-methylmorpholin-2-yl)-2-thiophen-3-ylethanone (CID 79078299) is 1-(4-methylmorpholin-2-yl)-2-thiophen-3-ylethanone.
What is the SMILES notation for 1-(4-methylmorpholin-2-yl)-2-thiophen-3-ylethanone?
The canonical SMILES for 1-(4-methylmorpholin-2-yl)-2-thiophen-3-ylethanone is CN1CCOC(C(=O)Cc2ccsc2)C1.
What is the InChIKey of 1-(4-methylmorpholin-2-yl)-2-thiophen-3-ylethanone?
The InChIKey is OISOFXMPEQFAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-12-3-4-14-11(7-12)10(13)6-9-2-5-15-8-9/h2,5,8,11H,3-4,6-7H2,1H3.
What are the key properties of 1-(4-methylmorpholin-2-yl)-2-thiophen-3-ylethanone?
1-(4-methylmorpholin-2-yl)-2-thiophen-3-ylethanone has a molecular weight of 225.31 g/mol, XLogP of 1.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylmorpholin-2-yl)-2-thiophen-3-ylethanone is sourced from PubChem (CID 79078299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).