2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-N-(thiophen-2-ylmethyl)acetamide

C14H22N2O3S — CID 114779811

IUPAC2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCC1(C)CN(CC(=O)NCc2cccs2)CC(CO)O1
InChIInChI=1S/C14H22N2O3S/c1-14(2)10-16(7-11(9-17)19-14)8-13(18)15-6-12-4-3-5-20-12/h3-5,11,17H,6-10H2,1-2H3,(H,15,18)
InChIKeyVOCOQDIJVYWTDB-UHFFFAOYSA-N
MW298.41 g/mol
LogP0.84
Rot. Bonds5

About 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-N-(thiophen-2-ylmethyl)acetamide

2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 114779811) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID114779811
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCC1(C)CN(CC(=O)NCc2cccs2)CC(CO)O1
InChIInChI=1S/C14H22N2O3S/c1-14(2)10-16(7-11(9-17)19-14)8-13(18)15-6-12-4-3-5-20-12/h3-5,11,17H,6-10H2,1-2H3,(H,15,18)
InChIKeyVOCOQDIJVYWTDB-UHFFFAOYSA-N
XLogP0.84
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 27068240
2-(3-methylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 65448842
3-methyl-1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperidine-3-carboxylic acid
CID 63136606
2-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperazin-1-yl]acetic acid
CID 43521795
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 9248959
2-[3-(2-hydroxyethyl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 62357149
2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(thiophen-2-ylmethyl)acetamide;hydrochloride
CID 119927713
2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1-(5-methylthiophen-2-yl)ethanone
CID 114777465
2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 114777452
2-[4-(fluoromethyl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 171701259
1-(5-chlorothiophen-2-yl)-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone
CID 114777443
2-[(3R)-4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-3-propylpiperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 96535725

Frequently Asked Questions

What is the IUPAC name of 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-N-(thiophen-2-ylmethyl)acetamide (CID 114779811) is 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-N-(thiophen-2-ylmethyl)acetamide is CC1(C)CN(CC(=O)NCc2cccs2)CC(CO)O1.
What is the InChIKey of 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is VOCOQDIJVYWTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-14(2)10-16(7-11(9-17)19-14)8-13(18)15-6-12-4-3-5-20-12/h3-5,11,17H,6-10H2,1-2H3,(H,15,18).
What are the key properties of 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-N-(thiophen-2-ylmethyl)acetamide?
2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 298.41 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 114779811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).