2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1-(5-methylthiophen-2-yl)ethanone

C14H21NO3S — CID 114777465

IUPAC2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1-(5-methylthiophen-2-yl)ethanone
SMILESCc1ccc(C(=O)CN2CC(CO)OC(C)(C)C2)s1
InChIInChI=1S/C14H21NO3S/c1-10-4-5-13(19-10)12(17)7-15-6-11(8-16)18-14(2,3)9-15/h4-5,11,16H,6-9H2,1-3H3
InChIKeyHZTJDEKFLHFJDS-UHFFFAOYSA-N
MW283.39 g/mol
LogP1.71
Rot. Bonds4

About 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1-(5-methylthiophen-2-yl)ethanone

2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1-(5-methylthiophen-2-yl)ethanone (PubChem CID 114777465) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1-(5-methylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1-(5-methylthiophen-2-yl)ethanone
PubChem CID114777465
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1-(5-methylthiophen-2-yl)ethanone
SMILESCc1ccc(C(=O)CN2CC(CO)OC(C)(C)C2)s1
InChIInChI=1S/C14H21NO3S/c1-10-4-5-13(19-10)12(17)7-15-6-11(8-16)18-14(2,3)9-15/h4-5,11,16H,6-9H2,1-3H3
InChIKeyHZTJDEKFLHFJDS-UHFFFAOYSA-N
XLogP1.71
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-chlorothiophen-2-yl)-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone
CID 114777443
1-(2,5-difluorophenyl)-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone
CID 114777430
2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1-(4-methylsulfanylphenyl)ethanone
CID 114777499
1-(3-chlorophenyl)-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone
CID 114777497
[6,6-dimethyl-4-(5-methylthiophen-2-yl)sulfonylmorpholin-2-yl]methanol
CID 114779103
4-[[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]benzoic acid
CID 114777324
2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 114779811
2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 114779698
2-(4-methylpiperidin-1-yl)-1-(5-methylthiophen-2-yl)ethanone
CID 43228150
[6,6-dimethyl-4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methanol
CID 114779633
3-[[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]benzoic acid
CID 114777343
(E)-3-[2-[[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]thiophen-3-yl]prop-2-enoic acid
CID 114779553

Frequently Asked Questions

What is the IUPAC name of 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1-(5-methylthiophen-2-yl)ethanone?
The IUPAC name of 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1-(5-methylthiophen-2-yl)ethanone (CID 114777465) is 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1-(5-methylthiophen-2-yl)ethanone.
What is the SMILES notation for 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1-(5-methylthiophen-2-yl)ethanone?
The canonical SMILES for 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1-(5-methylthiophen-2-yl)ethanone is Cc1ccc(C(=O)CN2CC(CO)OC(C)(C)C2)s1.
What is the InChIKey of 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1-(5-methylthiophen-2-yl)ethanone?
The InChIKey is HZTJDEKFLHFJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-10-4-5-13(19-10)12(17)7-15-6-11(8-16)18-14(2,3)9-15/h4-5,11,16H,6-9H2,1-3H3.
What are the key properties of 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1-(5-methylthiophen-2-yl)ethanone?
2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1-(5-methylthiophen-2-yl)ethanone has a molecular weight of 283.39 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 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]-1-(5-methylthiophen-2-yl)ethanone is sourced from PubChem (CID 114777465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).