(2,6-dimethylmorpholin-4-yl)-(5-ethylthiophen-2-yl)methanone

C13H19NO2S — CID 25237007

IUPAC(2,6-dimethylmorpholin-4-yl)-(5-ethylthiophen-2-yl)methanone
SMILESCCc1ccc(C(=O)N2CC(C)OC(C)C2)s1
InChIInChI=1S/C13H19NO2S/c1-4-11-5-6-12(17-11)13(15)14-7-9(2)16-10(3)8-14/h5-6,9-10H,4,7-8H2,1-3H3
InChIKeyYFNSOWCICNVTOM-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.56
Rot. Bonds2

About (2,6-dimethylmorpholin-4-yl)-(5-ethylthiophen-2-yl)methanone

(2,6-dimethylmorpholin-4-yl)-(5-ethylthiophen-2-yl)methanone (PubChem CID 25237007) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is (2,6-dimethylmorpholin-4-yl)-(5-ethylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(2,6-dimethylmorpholin-4-yl)-(5-ethylthiophen-2-yl)methanone
PubChem CID25237007
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name(2,6-dimethylmorpholin-4-yl)-(5-ethylthiophen-2-yl)methanone
SMILESCCc1ccc(C(=O)N2CC(C)OC(C)C2)s1
InChIInChI=1S/C13H19NO2S/c1-4-11-5-6-12(17-11)13(15)14-7-9(2)16-10(3)8-14/h5-6,9-10H,4,7-8H2,1-3H3
InChIKeyYFNSOWCICNVTOM-UHFFFAOYSA-N
XLogP2.56
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylmorpholin-4-yl)-(5-ethylthiophen-2-yl)methanone?
The IUPAC name of (2,6-dimethylmorpholin-4-yl)-(5-ethylthiophen-2-yl)methanone (CID 25237007) is (2,6-dimethylmorpholin-4-yl)-(5-ethylthiophen-2-yl)methanone.
What is the SMILES notation for (2,6-dimethylmorpholin-4-yl)-(5-ethylthiophen-2-yl)methanone?
The canonical SMILES for (2,6-dimethylmorpholin-4-yl)-(5-ethylthiophen-2-yl)methanone is CCc1ccc(C(=O)N2CC(C)OC(C)C2)s1.
What is the InChIKey of (2,6-dimethylmorpholin-4-yl)-(5-ethylthiophen-2-yl)methanone?
The InChIKey is YFNSOWCICNVTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-4-11-5-6-12(17-11)13(15)14-7-9(2)16-10(3)8-14/h5-6,9-10H,4,7-8H2,1-3H3.
What are the key properties of (2,6-dimethylmorpholin-4-yl)-(5-ethylthiophen-2-yl)methanone?
(2,6-dimethylmorpholin-4-yl)-(5-ethylthiophen-2-yl)methanone has a molecular weight of 253.37 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylmorpholin-4-yl)-(5-ethylthiophen-2-yl)methanone is sourced from PubChem (CID 25237007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).