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

C15H17NO2S — CID 6976472

IUPAC1-benzothiophen-2-yl-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2cc3ccccc3s2)C[C@H](C)O1
InChIInChI=1S/C15H17NO2S/c1-10-8-16(9-11(2)18-10)15(17)14-7-12-5-3-4-6-13(12)19-14/h3-7,10-11H,8-9H2,1-2H3/t10-,11+
InChIKeyQCEAXJYSYYXWMY-PHIMTYICSA-N
MW275.37 g/mol
LogP3.15
Rot. Bonds1

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

1-benzothiophen-2-yl-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone (PubChem CID 6976472) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is 1-benzothiophen-2-yl-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name1-benzothiophen-2-yl-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
PubChem CID6976472
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Name1-benzothiophen-2-yl-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2cc3ccccc3s2)C[C@H](C)O1
InChIInChI=1S/C15H17NO2S/c1-10-8-16(9-11(2)18-10)15(17)14-7-12-5-3-4-6-13(12)19-14/h3-7,10-11H,8-9H2,1-2H3/t10-,11+
InChIKeyQCEAXJYSYYXWMY-PHIMTYICSA-N
XLogP3.15
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-2-yl-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone?
The IUPAC name of 1-benzothiophen-2-yl-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone (CID 6976472) is 1-benzothiophen-2-yl-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone.
What is the SMILES notation for 1-benzothiophen-2-yl-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone?
The canonical SMILES for 1-benzothiophen-2-yl-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone is C[C@@H]1CN(C(=O)c2cc3ccccc3s2)C[C@H](C)O1.
What is the InChIKey of 1-benzothiophen-2-yl-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone?
The InChIKey is QCEAXJYSYYXWMY-PHIMTYICSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-10-8-16(9-11(2)18-10)15(17)14-7-12-5-3-4-6-13(12)19-14/h3-7,10-11H,8-9H2,1-2H3/t10-,11+.
What are the key properties of 1-benzothiophen-2-yl-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone?
1-benzothiophen-2-yl-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone has a molecular weight of 275.37 g/mol, XLogP of 3.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-2-yl-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone is sourced from PubChem (CID 6976472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).