2-(1-benzothiophen-3-ylmethoxymethyl)-6-methylmorpholine

C15H19NO2S — CID 102633734

IUPAC2-(1-benzothiophen-3-ylmethoxymethyl)-6-methylmorpholine
SMILESCC1CNCC(COCc2csc3ccccc23)O1
InChIInChI=1S/C15H19NO2S/c1-11-6-16-7-13(18-11)9-17-8-12-10-19-15-5-3-2-4-14(12)15/h2-5,10-11,13,16H,6-9H2,1H3
InChIKeyNTFDOFKBJKCLBF-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.79
Rot. Bonds4

About 2-(1-benzothiophen-3-ylmethoxymethyl)-6-methylmorpholine

2-(1-benzothiophen-3-ylmethoxymethyl)-6-methylmorpholine (PubChem CID 102633734) has the molecular formula C15H19NO2S and a molecular weight of 277.39 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-ylmethoxymethyl)-6-methylmorpholine.

Molecular Properties

Compound Name2-(1-benzothiophen-3-ylmethoxymethyl)-6-methylmorpholine
PubChem CID102633734
Molecular FormulaC15H19NO2S
Molecular Weight277.39 g/mol
Exact Mass277.11
IUPAC Name2-(1-benzothiophen-3-ylmethoxymethyl)-6-methylmorpholine
SMILESCC1CNCC(COCc2csc3ccccc23)O1
InChIInChI=1S/C15H19NO2S/c1-11-6-16-7-13(18-11)9-17-8-12-10-19-15-5-3-2-4-14(12)15/h2-5,10-11,13,16H,6-9H2,1H3
InChIKeyNTFDOFKBJKCLBF-UHFFFAOYSA-N
XLogP2.79
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(1-benzothiophen-3-ylmethoxymethyl)-2,2-dimethylmorpholine
CID 114775576
2-methyl-6-(quinolin-4-ylmethoxymethyl)morpholine
CID 102634147
2-[(3-bromothiophen-2-yl)methoxymethyl]-6-methylmorpholine
CID 102633844
2-methyl-6-(1,3-thiazol-2-ylmethoxymethyl)morpholine
CID 102633648
2-[(2-chloro-4-methylphenyl)methoxymethyl]-6-methylmorpholine
CID 106864801
2-[(6-methylmorpholin-2-yl)methoxymethyl]-3H-quinazolin-4-one
CID 136767082
2-(1-benzothiophen-3-ylmethoxymethyl)pyrrolidine
CID 63738091
2-[(2-ethyl-1,3-thiazol-4-yl)methoxymethyl]-6-methylmorpholine
CID 102633911
2-[(3-fluorophenyl)methoxymethyl]-6-methylmorpholine
CID 102633920
4-fluoro-3-[(6-methylmorpholin-2-yl)methoxymethyl]benzonitrile
CID 102633564
3-(1-benzothiophen-3-ylmethoxy)pyrrolidine
CID 63737908
(2S,6S)-2,6-bis(phenylmethoxymethyl)morpholine
CID 176754636

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-ylmethoxymethyl)-6-methylmorpholine?
The IUPAC name of 2-(1-benzothiophen-3-ylmethoxymethyl)-6-methylmorpholine (CID 102633734) is 2-(1-benzothiophen-3-ylmethoxymethyl)-6-methylmorpholine.
What is the SMILES notation for 2-(1-benzothiophen-3-ylmethoxymethyl)-6-methylmorpholine?
The canonical SMILES for 2-(1-benzothiophen-3-ylmethoxymethyl)-6-methylmorpholine is CC1CNCC(COCc2csc3ccccc23)O1.
What is the InChIKey of 2-(1-benzothiophen-3-ylmethoxymethyl)-6-methylmorpholine?
The InChIKey is NTFDOFKBJKCLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2S/c1-11-6-16-7-13(18-11)9-17-8-12-10-19-15-5-3-2-4-14(12)15/h2-5,10-11,13,16H,6-9H2,1H3.
What are the key properties of 2-(1-benzothiophen-3-ylmethoxymethyl)-6-methylmorpholine?
2-(1-benzothiophen-3-ylmethoxymethyl)-6-methylmorpholine has a molecular weight of 277.39 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-3-ylmethoxymethyl)-6-methylmorpholine is sourced from PubChem (CID 102633734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).