(5-ethyl-4-methylthiophen-2-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone

C14H21NO3S — CID 102934725

IUPAC(5-ethyl-4-methylthiophen-2-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
SMILESCCc1sc(C(=O)N2CC(C)OC(CO)C2)cc1C
InChIInChI=1S/C14H21NO3S/c1-4-12-9(2)5-13(19-12)14(17)15-6-10(3)18-11(7-15)8-16/h5,10-11,16H,4,6-8H2,1-3H3
InChIKeyXOWLBZUOBJKANZ-UHFFFAOYSA-N
MW283.39 g/mol
LogP1.84
Rot. Bonds3

About (5-ethyl-4-methylthiophen-2-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone

(5-ethyl-4-methylthiophen-2-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone (PubChem CID 102934725) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is (5-ethyl-4-methylthiophen-2-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name(5-ethyl-4-methylthiophen-2-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
PubChem CID102934725
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name(5-ethyl-4-methylthiophen-2-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
SMILESCCc1sc(C(=O)N2CC(C)OC(CO)C2)cc1C
InChIInChI=1S/C14H21NO3S/c1-4-12-9(2)5-13(19-12)14(17)15-6-10(3)18-11(7-15)8-16/h5,10-11,16H,4,6-8H2,1-3H3
InChIKeyXOWLBZUOBJKANZ-UHFFFAOYSA-N
XLogP1.84
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4,5-dibromothiophen-2-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102932957
2-[1-(5-ethyl-4-methylthiophene-2-carbonyl)azetidin-3-yl]acetic acid
CID 64605779
(5-amino-1-benzothiophen-2-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102931471
(5-ethyl-4-methylthiophen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103900208
[3-(3,5-dimethyl-1,2,4-triazol-1-yl)azetidin-1-yl]-(5-ethyl-4-methylthiophen-2-yl)methanone
CID 146084265
(E)-3-[5-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]thiophen-2-yl]prop-2-enoic acid
CID 102935373
[2-(ethylamino)-4-methylphenyl]-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102936110
[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(3,4,5-trifluorophenyl)methanone
CID 102932485
(4-chloro-2-methylphenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102978663
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-methylsulfanylethanone
CID 102934667
[4-(ethylamino)-2-methylphenyl]-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102936130
(2,6-dimethylmorpholin-4-yl)-(5-ethylthiophen-2-yl)methanone
CID 25237007

Frequently Asked Questions

What is the IUPAC name of (5-ethyl-4-methylthiophen-2-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone?
The IUPAC name of (5-ethyl-4-methylthiophen-2-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone (CID 102934725) is (5-ethyl-4-methylthiophen-2-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone.
What is the SMILES notation for (5-ethyl-4-methylthiophen-2-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone?
The canonical SMILES for (5-ethyl-4-methylthiophen-2-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone is CCc1sc(C(=O)N2CC(C)OC(CO)C2)cc1C.
What is the InChIKey of (5-ethyl-4-methylthiophen-2-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone?
The InChIKey is XOWLBZUOBJKANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-4-12-9(2)5-13(19-12)14(17)15-6-10(3)18-11(7-15)8-16/h5,10-11,16H,4,6-8H2,1-3H3.
What are the key properties of (5-ethyl-4-methylthiophen-2-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone?
(5-ethyl-4-methylthiophen-2-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone has a molecular weight of 283.39 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-4-methylthiophen-2-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone is sourced from PubChem (CID 102934725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).