thiophen-2-yl-(2,2,6-trimethylmorpholin-4-yl)methanone

C12H17NO2S — CID 48688223

IUPACthiophen-2-yl-(2,2,6-trimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2cccs2)CC(C)(C)O1
InChIInChI=1S/C12H17NO2S/c1-9-7-13(8-12(2,3)15-9)11(14)10-5-4-6-16-10/h4-6,9H,7-8H2,1-3H3
InChIKeyHBQYZQOZSQLMBA-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.39
Rot. Bonds1

About thiophen-2-yl-(2,2,6-trimethylmorpholin-4-yl)methanone

thiophen-2-yl-(2,2,6-trimethylmorpholin-4-yl)methanone (PubChem CID 48688223) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is thiophen-2-yl-(2,2,6-trimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Namethiophen-2-yl-(2,2,6-trimethylmorpholin-4-yl)methanone
PubChem CID48688223
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Namethiophen-2-yl-(2,2,6-trimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2cccs2)CC(C)(C)O1
InChIInChI=1S/C12H17NO2S/c1-9-7-13(8-12(2,3)15-9)11(14)10-5-4-6-16-10/h4-6,9H,7-8H2,1-3H3
InChIKeyHBQYZQOZSQLMBA-UHFFFAOYSA-N
XLogP2.39
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-thiophen-2-ylmethanone
CID 114781574
(5-bromothiophen-2-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 48688438
[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-thiophen-2-ylmethanone
CID 72908088
(2,3-dihydroxyphenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 114344244
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone
CID 95158444
(2-benzyl-6-methylmorpholin-4-yl)-thiophen-2-ylmethanone
CID 110644128
[5-(aminomethyl)furan-2-yl]-[(6R)-2,2,6-trimethylmorpholin-4-yl]methanone
CID 124517050
ethane;(4-methylpiperidin-1-yl)-thiophen-2-ylmethanone
CID 142506623
[3-methyl-4-(thiophene-2-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 2896965
(3,5-dimethyl-4-phenylpiperazin-1-yl)-thiophen-2-ylmethanone
CID 110602244
[5-(2-chlorophenyl)-1,2-oxazol-3-yl]-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 48689999
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968

Frequently Asked Questions

What is the IUPAC name of thiophen-2-yl-(2,2,6-trimethylmorpholin-4-yl)methanone?
The IUPAC name of thiophen-2-yl-(2,2,6-trimethylmorpholin-4-yl)methanone (CID 48688223) is thiophen-2-yl-(2,2,6-trimethylmorpholin-4-yl)methanone.
What is the SMILES notation for thiophen-2-yl-(2,2,6-trimethylmorpholin-4-yl)methanone?
The canonical SMILES for thiophen-2-yl-(2,2,6-trimethylmorpholin-4-yl)methanone is CC1CN(C(=O)c2cccs2)CC(C)(C)O1.
What is the InChIKey of thiophen-2-yl-(2,2,6-trimethylmorpholin-4-yl)methanone?
The InChIKey is HBQYZQOZSQLMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-9-7-13(8-12(2,3)15-9)11(14)10-5-4-6-16-10/h4-6,9H,7-8H2,1-3H3.
What are the key properties of thiophen-2-yl-(2,2,6-trimethylmorpholin-4-yl)methanone?
thiophen-2-yl-(2,2,6-trimethylmorpholin-4-yl)methanone has a molecular weight of 239.34 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for thiophen-2-yl-(2,2,6-trimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 48688223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).