1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-thiophen-2-ylethanone

C12H17NO3S — CID 102934064

IUPAC1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-thiophen-2-ylethanone
SMILESCC1CN(C(=O)Cc2cccs2)CC(CO)O1
InChIInChI=1S/C12H17NO3S/c1-9-6-13(7-10(8-14)16-9)12(15)5-11-3-2-4-17-11/h2-4,9-10,14H,5-8H2,1H3
InChIKeyGVJWSIJFQGGAQM-UHFFFAOYSA-N
MW255.34 g/mol
LogP0.90
Rot. Bonds3

About 1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-thiophen-2-ylethanone

1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-thiophen-2-ylethanone (PubChem CID 102934064) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-thiophen-2-ylethanone
PubChem CID102934064
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC Name1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-thiophen-2-ylethanone
SMILESCC1CN(C(=O)Cc2cccs2)CC(CO)O1
InChIInChI=1S/C12H17NO3S/c1-9-6-13(7-10(8-14)16-9)12(15)5-11-3-2-4-17-11/h2-4,9-10,14H,5-8H2,1H3
InChIKeyGVJWSIJFQGGAQM-UHFFFAOYSA-N
XLogP0.90
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(chloromethyl)-6-methylmorpholin-4-yl]-2-thiophen-2-ylethanone
CID 102937552
N-[2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-oxoethyl]thiophene-2-carboxamide
CID 102934265
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-(4-hydroxyphenyl)ethanone
CID 102934069
2-(2-aminophenyl)-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone
CID 102931485
2-(2-chlorophenyl)-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone
CID 102934709
2-[4-(aminomethyl)phenyl]-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone
CID 102931537
2-(2,5-dimethylphenyl)-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone
CID 102934393
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-(2-nitrophenyl)ethanone
CID 102934348
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-methylsulfanylethanone
CID 102934667
1-[(2S,6R)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]-2-thiophen-2-ylethanone
CID 56866059
2-(2,3-dihydro-1H-inden-5-yl)-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone
CID 102934648
2-thiophen-2-yl-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethanone
CID 110364980

Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-thiophen-2-ylethanone?
The IUPAC name of 1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-thiophen-2-ylethanone (CID 102934064) is 1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-thiophen-2-ylethanone?
The canonical SMILES for 1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-thiophen-2-ylethanone is CC1CN(C(=O)Cc2cccs2)CC(CO)O1.
What is the InChIKey of 1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-thiophen-2-ylethanone?
The InChIKey is GVJWSIJFQGGAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-9-6-13(7-10(8-14)16-9)12(15)5-11-3-2-4-17-11/h2-4,9-10,14H,5-8H2,1H3.
What are the key properties of 1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-thiophen-2-ylethanone?
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-thiophen-2-ylethanone has a molecular weight of 255.34 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-thiophen-2-ylethanone is sourced from PubChem (CID 102934064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).