(3-ethylthiophen-2-yl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone

C13H19NO3S — CID 81219797

IUPAC(3-ethylthiophen-2-yl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
SMILESCCc1ccsc1C(=O)N1CC(CO)OCC1C
InChIInChI=1S/C13H19NO3S/c1-3-10-4-5-18-12(10)13(16)14-6-11(7-15)17-8-9(14)2/h4-5,9,11,15H,3,6-8H2,1-2H3
InChIKeyRTRIJPJHJSPSKA-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.53
Rot. Bonds3

About (3-ethylthiophen-2-yl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone

(3-ethylthiophen-2-yl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone (PubChem CID 81219797) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is (3-ethylthiophen-2-yl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name(3-ethylthiophen-2-yl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
PubChem CID81219797
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name(3-ethylthiophen-2-yl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
SMILESCCc1ccsc1C(=O)N1CC(CO)OCC1C
InChIInChI=1S/C13H19NO3S/c1-3-10-4-5-18-12(10)13(16)14-6-11(7-15)17-8-9(14)2/h4-5,9,11,15H,3,6-8H2,1-2H3
InChIKeyRTRIJPJHJSPSKA-UHFFFAOYSA-N
XLogP1.53
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(chloromethyl)-5-methylmorpholin-4-yl]-(3-ethylthiophen-2-yl)methanone
CID 81212290
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 81208164
(3,5-dibromophenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 103909324
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone
CID 81208179
1-(3-ethylthiophene-2-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122083600
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(3-hydroxy-2-pyridinyl)methanone
CID 81203609
(2,5-dihydroxyphenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 107723418
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone
CID 81197766
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81203835
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(3,4,5-trifluorophenyl)methanone
CID 81202743
(6-amino-3-pyridinyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81212789
(3-bromo-5-methylphenyl)-[(2S,5S)-2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 99606476

Frequently Asked Questions

What is the IUPAC name of (3-ethylthiophen-2-yl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone?
The IUPAC name of (3-ethylthiophen-2-yl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone (CID 81219797) is (3-ethylthiophen-2-yl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone.
What is the SMILES notation for (3-ethylthiophen-2-yl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone?
The canonical SMILES for (3-ethylthiophen-2-yl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone is CCc1ccsc1C(=O)N1CC(CO)OCC1C.
What is the InChIKey of (3-ethylthiophen-2-yl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone?
The InChIKey is RTRIJPJHJSPSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-3-10-4-5-18-12(10)13(16)14-6-11(7-15)17-8-9(14)2/h4-5,9,11,15H,3,6-8H2,1-2H3.
What are the key properties of (3-ethylthiophen-2-yl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone?
(3-ethylthiophen-2-yl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone has a molecular weight of 269.37 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylthiophen-2-yl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone is sourced from PubChem (CID 81219797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).