[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[(6R)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methanone

C16H23NO2S — CID 7872422

IUPAC[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[(6R)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methanone
SMILESC[C@@H]1CCc2c(C(=O)N3C[C@@H](C)O[C@@H](C)C3)csc2C1
InChIInChI=1S/C16H23NO2S/c1-10-4-5-13-14(9-20-15(13)6-10)16(18)17-7-11(2)19-12(3)8-17/h9-12H,4-8H2,1-3H3/t10-,11-,12+/m1/s1
InChIKeyVAXZUQBAESMIKJ-UTUOFQBUSA-N
MW293.43 g/mol
LogP3.12
Rot. Bonds1

About [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[(6R)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methanone

[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[(6R)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methanone (PubChem CID 7872422) has the molecular formula C16H23NO2S and a molecular weight of 293.43 g/mol. Its IUPAC name is [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[(6R)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methanone.

Molecular Properties

Compound Name[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[(6R)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methanone
PubChem CID7872422
Molecular FormulaC16H23NO2S
Molecular Weight293.43 g/mol
Exact Mass293.14
IUPAC Name[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[(6R)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methanone
SMILESC[C@@H]1CCc2c(C(=O)N3C[C@@H](C)O[C@@H](C)C3)csc2C1
InChIInChI=1S/C16H23NO2S/c1-10-4-5-13-14(9-20-15(13)6-10)16(18)17-7-11(2)19-12(3)8-17/h9-12H,4-8H2,1-3H3/t10-,11-,12+/m1/s1
InChIKeyVAXZUQBAESMIKJ-UTUOFQBUSA-N
XLogP3.12
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[(6R)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methanone with MolForge

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Related Compounds

(4-methylpiperidin-1-yl)-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone
CID 25236486
(4-ethylpiperazin-1-yl)-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone
CID 25236090
6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
CID 4746853
ethyl 4-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)piperazine-1-carboxylate
CID 78795941
[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone
CID 102934526
2,3-dihydro-1,4-benzodioxin-6-yl-[1-[(6S)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl]piperidin-4-yl]methanone
CID 33185662
[4-(cyclopropylmethylamino)piperidin-1-yl]-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone;hydrochloride
CID 119624612
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(4,5-dimethylthiophen-3-yl)methanone
CID 27212063
[(6S)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-[(3S)-3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]methanone
CID 99816784
N-methoxy-N,6-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 55027960
[3-[5-(hydroxymethyl)-1H-pyrazol-3-yl]piperidin-1-yl]-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone
CID 132765240
[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-[(6S)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methanone
CID 26204747

Frequently Asked Questions

What is the IUPAC name of [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[(6R)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methanone?
The IUPAC name of [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[(6R)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methanone (CID 7872422) is [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[(6R)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methanone.
What is the SMILES notation for [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[(6R)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methanone?
The canonical SMILES for [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[(6R)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methanone is C[C@@H]1CCc2c(C(=O)N3C[C@@H](C)O[C@@H](C)C3)csc2C1.
What is the InChIKey of [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[(6R)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methanone?
The InChIKey is VAXZUQBAESMIKJ-UTUOFQBUSA-N. The full InChI is InChI=1S/C16H23NO2S/c1-10-4-5-13-14(9-20-15(13)6-10)16(18)17-7-11(2)19-12(3)8-17/h9-12H,4-8H2,1-3H3/t10-,11-,12+/m1/s1.
What are the key properties of [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[(6R)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methanone?
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[(6R)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methanone has a molecular weight of 293.43 g/mol, XLogP of 3.12, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[(6R)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methanone is sourced from PubChem (CID 7872422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).