1-[3-(hydroxymethyl)morpholin-4-yl]-2-thiophen-2-ylethanone

C11H15NO3S — CID 71785819

IUPAC1-[3-(hydroxymethyl)morpholin-4-yl]-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCOCC1CO
InChIInChI=1S/C11H15NO3S/c13-7-9-8-15-4-3-12(9)11(14)6-10-2-1-5-16-10/h1-2,5,9,13H,3-4,6-8H2
InChIKeyBUTVSHIOGMVNDT-UHFFFAOYSA-N
MW241.31 g/mol
LogP0.51
Rot. Bonds3

About 1-[3-(hydroxymethyl)morpholin-4-yl]-2-thiophen-2-ylethanone

1-[3-(hydroxymethyl)morpholin-4-yl]-2-thiophen-2-ylethanone (PubChem CID 71785819) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is 1-[3-(hydroxymethyl)morpholin-4-yl]-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-[3-(hydroxymethyl)morpholin-4-yl]-2-thiophen-2-ylethanone
PubChem CID71785819
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Name1-[3-(hydroxymethyl)morpholin-4-yl]-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCOCC1CO
InChIInChI=1S/C11H15NO3S/c13-7-9-8-15-4-3-12(9)11(14)6-10-2-1-5-16-10/h1-2,5,9,13H,3-4,6-8H2
InChIKeyBUTVSHIOGMVNDT-UHFFFAOYSA-N
XLogP0.51
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Morpholine, 4-(2-thienylacetyl)-
CID 531781
N-[2-(morpholin-4-yl)ethyl]-2-(thiophen-2-yl)acetamide
CID 670829
(3-(Hydroxymethyl)morpholino)(1-(thiophen-2-yl)cyclopentyl)methanone
CID 71785836
N-(tetrahydro-2H-pyran-4-yl)-2-(thiophen-2-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 71796112
1-[3-(2-Methylpropyl)morpholin-4-yl]-2-thiophen-2-ylethanone
CID 72042474
N-[3-(morpholin-4-yl)propyl]-2-(thiophen-2-yl)acetamide
CID 2582267
2,2-Difluoro-1-morpholin-4-yl-2-thiophen-2-ylethanone
CID 134861849
1-(2-Methylpiperidin-1-yl)-2-thiophen-2-ylethanone
CID 2891465
1-(2,6-Dimethylpiperidin-1-yl)-2-thiophen-2-ylethanone
CID 3157933
N-(2-methoxy-isopropyl)-2-(2-thienyl)acetamide
CID 3681285
1-(1-Oxa-4-thia-8-azaspiro[4.5]decan-8-yl)-2-(thiophen-2-yl)ethanone
CID 56764618
1-(3-(((2-Hydroxyethyl)(methyl)amino)methyl)morpholino)-2-(thiophen-2-yl)ethanone formate
CID 71785979

Frequently Asked Questions

What is the IUPAC name of 1-[3-(hydroxymethyl)morpholin-4-yl]-2-thiophen-2-ylethanone?
The IUPAC name of 1-[3-(hydroxymethyl)morpholin-4-yl]-2-thiophen-2-ylethanone (CID 71785819) is 1-[3-(hydroxymethyl)morpholin-4-yl]-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-[3-(hydroxymethyl)morpholin-4-yl]-2-thiophen-2-ylethanone?
The canonical SMILES for 1-[3-(hydroxymethyl)morpholin-4-yl]-2-thiophen-2-ylethanone is O=C(Cc1cccs1)N1CCOCC1CO.
What is the InChIKey of 1-[3-(hydroxymethyl)morpholin-4-yl]-2-thiophen-2-ylethanone?
The InChIKey is BUTVSHIOGMVNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c13-7-9-8-15-4-3-12(9)11(14)6-10-2-1-5-16-10/h1-2,5,9,13H,3-4,6-8H2.
What are the key properties of 1-[3-(hydroxymethyl)morpholin-4-yl]-2-thiophen-2-ylethanone?
1-[3-(hydroxymethyl)morpholin-4-yl]-2-thiophen-2-ylethanone has a molecular weight of 241.31 g/mol, XLogP of 0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(hydroxymethyl)morpholin-4-yl]-2-thiophen-2-ylethanone is sourced from PubChem (CID 71785819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).