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

C16H19NO2S — CID 92832179

IUPAC[(2R,6S)-2,6-dimethylmorpholin-4-yl]-(3-methyl-1-benzothiophen-2-yl)methanone
SMILESCc1c(C(=O)N2C[C@@H](C)O[C@@H](C)C2)sc2ccccc12
InChIInChI=1S/C16H19NO2S/c1-10-8-17(9-11(2)19-10)16(18)15-12(3)13-6-4-5-7-14(13)20-15/h4-7,10-11H,8-9H2,1-3H3/t10-,11+
InChIKeyKVPXSFILJVQYOQ-PHIMTYICSA-N
MW289.40 g/mol
LogP3.46
Rot. Bonds1

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

[(2R,6S)-2,6-dimethylmorpholin-4-yl]-(3-methyl-1-benzothiophen-2-yl)methanone (PubChem CID 92832179) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is [(2R,6S)-2,6-dimethylmorpholin-4-yl]-(3-methyl-1-benzothiophen-2-yl)methanone.

Molecular Properties

Compound Name[(2R,6S)-2,6-dimethylmorpholin-4-yl]-(3-methyl-1-benzothiophen-2-yl)methanone
PubChem CID92832179
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC Name[(2R,6S)-2,6-dimethylmorpholin-4-yl]-(3-methyl-1-benzothiophen-2-yl)methanone
SMILESCc1c(C(=O)N2C[C@@H](C)O[C@@H](C)C2)sc2ccccc12
InChIInChI=1S/C16H19NO2S/c1-10-8-17(9-11(2)19-10)16(18)15-12(3)13-6-4-5-7-14(13)20-15/h4-7,10-11H,8-9H2,1-3H3/t10-,11+
InChIKeyKVPXSFILJVQYOQ-PHIMTYICSA-N
XLogP3.46
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-Bromo-1-benzothiophen-2-yl)(morpholino)methanone
CID 1474476
Morpholino[5-(trifluoromethyl)-1-benzothiophen-2-yl]methanone
CID 1477957
(3-Chloro-4-fluoro-1-benzothiophen-2-yl)(2,6-dimethylmorpholin-4-yl)methanone
CID 2971473
1-(Benzothiophen-3-yl)-2-(4-benzoylpiperazin-1-yl)ethane-1,2-dione
CID 6481408
N-(2-Methoxyethyl)-3-[2-[3-(trifluoromethyl)benzyl]-1-benzothiophen-7-yl]benzamide
CID 67185105
US10501473, Example 39
CID 129160740
Benzo[b]thiophen-2-yl(morpholino)methanone
CID 2798285
(3-chloro-1-benzothiophen-2-yl)-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 889570
(3-chloro-1-benzothiophen-2-yl)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 889571
N,N-bis(2-methoxyethyl)-2-thieno[3,2-b][1]benzothiolecarboxamide
CID 1950083
4-(3-Chloro-1-benzothiophene-2-carbonyl)-2,6-dimethylmorpholine
CID 2938150
4-(3-Chloro-6-methyl-1-benzothiophene-2-carbonyl)-2,6-dimethylmorpholine
CID 5063276

Frequently Asked Questions

What is the IUPAC name of [(2R,6S)-2,6-dimethylmorpholin-4-yl]-(3-methyl-1-benzothiophen-2-yl)methanone?
The IUPAC name of [(2R,6S)-2,6-dimethylmorpholin-4-yl]-(3-methyl-1-benzothiophen-2-yl)methanone (CID 92832179) is [(2R,6S)-2,6-dimethylmorpholin-4-yl]-(3-methyl-1-benzothiophen-2-yl)methanone.
What is the SMILES notation for [(2R,6S)-2,6-dimethylmorpholin-4-yl]-(3-methyl-1-benzothiophen-2-yl)methanone?
The canonical SMILES for [(2R,6S)-2,6-dimethylmorpholin-4-yl]-(3-methyl-1-benzothiophen-2-yl)methanone is Cc1c(C(=O)N2C[C@@H](C)O[C@@H](C)C2)sc2ccccc12.
What is the InChIKey of [(2R,6S)-2,6-dimethylmorpholin-4-yl]-(3-methyl-1-benzothiophen-2-yl)methanone?
The InChIKey is KVPXSFILJVQYOQ-PHIMTYICSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-10-8-17(9-11(2)19-10)16(18)15-12(3)13-6-4-5-7-14(13)20-15/h4-7,10-11H,8-9H2,1-3H3/t10-,11+.
What are the key properties of [(2R,6S)-2,6-dimethylmorpholin-4-yl]-(3-methyl-1-benzothiophen-2-yl)methanone?
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-(3-methyl-1-benzothiophen-2-yl)methanone has a molecular weight of 289.40 g/mol, XLogP of 3.46, 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]-(3-methyl-1-benzothiophen-2-yl)methanone is sourced from PubChem (CID 92832179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).