6-(1-benzothiophen-3-ylmethoxymethyl)-2,2-dimethylmorpholine

C16H21NO2S — CID 114775576

IUPAC6-(1-benzothiophen-3-ylmethoxymethyl)-2,2-dimethylmorpholine
SMILESCC1(C)CNCC(COCc2csc3ccccc23)O1
InChIInChI=1S/C16H21NO2S/c1-16(2)11-17-7-13(19-16)9-18-8-12-10-20-15-6-4-3-5-14(12)15/h3-6,10,13,17H,7-9,11H2,1-2H3
InChIKeyBQMTZNKNICOINZ-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.18
Rot. Bonds4

About 6-(1-benzothiophen-3-ylmethoxymethyl)-2,2-dimethylmorpholine

6-(1-benzothiophen-3-ylmethoxymethyl)-2,2-dimethylmorpholine (PubChem CID 114775576) has the molecular formula C16H21NO2S and a molecular weight of 291.42 g/mol. Its IUPAC name is 6-(1-benzothiophen-3-ylmethoxymethyl)-2,2-dimethylmorpholine.

Molecular Properties

Compound Name6-(1-benzothiophen-3-ylmethoxymethyl)-2,2-dimethylmorpholine
PubChem CID114775576
Molecular FormulaC16H21NO2S
Molecular Weight291.42 g/mol
Exact Mass291.13
IUPAC Name6-(1-benzothiophen-3-ylmethoxymethyl)-2,2-dimethylmorpholine
SMILESCC1(C)CNCC(COCc2csc3ccccc23)O1
InChIInChI=1S/C16H21NO2S/c1-16(2)11-17-7-13(19-16)9-18-8-12-10-20-15-6-4-3-5-14(12)15/h3-6,10,13,17H,7-9,11H2,1-2H3
InChIKeyBQMTZNKNICOINZ-UHFFFAOYSA-N
XLogP3.18
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(1-benzothiophen-3-ylmethoxymethyl)-2,2-dimethylmorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-benzothiophen-3-ylmethoxymethyl)-6-methylmorpholine
CID 102633734
2,2-dimethyl-6-[(2-nitrophenyl)methoxymethyl]morpholine
CID 114775521
6-[(3-chloro-2-fluorophenyl)methoxymethyl]-2,2-dimethylmorpholine
CID 102856484
6-[(2-methoxy-3-pyridinyl)methoxymethyl]-2,2-dimethylmorpholine
CID 114775440
6-[(4-tert-butyl-1,3-thiazol-2-yl)methoxymethyl]-2,2-dimethylmorpholine
CID 114775626
6-[(3-methoxyphenyl)methoxymethyl]-2,2-dimethylmorpholine
CID 114775645
2-(1-benzothiophen-3-ylmethoxymethyl)pyrrolidine
CID 63738091
3-(1-benzothiophen-3-ylmethoxy)pyrrolidine
CID 63737908
2,2-dimethyl-6-[(3-propan-2-ylimidazol-4-yl)methoxymethyl]morpholine
CID 106939028
6-[(4-chloro-1,3-thiazol-2-yl)oxymethyl]-2,2-dimethylmorpholine
CID 114775902
3-(propan-2-yloxymethyl)-1-benzothiophene
CID 117170953
6-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxymethyl]-2,2-dimethylmorpholine
CID 114775371

Frequently Asked Questions

What is the IUPAC name of 6-(1-benzothiophen-3-ylmethoxymethyl)-2,2-dimethylmorpholine?
The IUPAC name of 6-(1-benzothiophen-3-ylmethoxymethyl)-2,2-dimethylmorpholine (CID 114775576) is 6-(1-benzothiophen-3-ylmethoxymethyl)-2,2-dimethylmorpholine.
What is the SMILES notation for 6-(1-benzothiophen-3-ylmethoxymethyl)-2,2-dimethylmorpholine?
The canonical SMILES for 6-(1-benzothiophen-3-ylmethoxymethyl)-2,2-dimethylmorpholine is CC1(C)CNCC(COCc2csc3ccccc23)O1.
What is the InChIKey of 6-(1-benzothiophen-3-ylmethoxymethyl)-2,2-dimethylmorpholine?
The InChIKey is BQMTZNKNICOINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2S/c1-16(2)11-17-7-13(19-16)9-18-8-12-10-20-15-6-4-3-5-14(12)15/h3-6,10,13,17H,7-9,11H2,1-2H3.
What are the key properties of 6-(1-benzothiophen-3-ylmethoxymethyl)-2,2-dimethylmorpholine?
6-(1-benzothiophen-3-ylmethoxymethyl)-2,2-dimethylmorpholine has a molecular weight of 291.42 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-benzothiophen-3-ylmethoxymethyl)-2,2-dimethylmorpholine is sourced from PubChem (CID 114775576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).