2-[(5,6-dimethoxy-2,3-dihydro-1-benzothiophen-3-yl)methyl]-1-methylpyrrolidine

C16H23NO2S — CID 178102820

IUPAC2-[(5,6-dimethoxy-2,3-dihydro-1-benzothiophen-3-yl)methyl]-1-methylpyrrolidine
SMILESCOc1cc2c(cc1OC)C(CC1CCCN1C)CS2
InChIInChI=1S/C16H23NO2S/c1-17-6-4-5-12(17)7-11-10-20-16-9-15(19-3)14(18-2)8-13(11)16/h8-9,11-12H,4-7,10H2,1-3H3
InChIKeyMRIKVDQWMOBQQK-UHFFFAOYSA-N
MW293.43 g/mol
LogP3.38
Rot. Bonds4

About 2-[(5,6-dimethoxy-2,3-dihydro-1-benzothiophen-3-yl)methyl]-1-methylpyrrolidine

2-[(5,6-dimethoxy-2,3-dihydro-1-benzothiophen-3-yl)methyl]-1-methylpyrrolidine (PubChem CID 178102820) has the molecular formula C16H23NO2S and a molecular weight of 293.43 g/mol. Its IUPAC name is 2-[(5,6-dimethoxy-2,3-dihydro-1-benzothiophen-3-yl)methyl]-1-methylpyrrolidine.

Molecular Properties

Compound Name2-[(5,6-dimethoxy-2,3-dihydro-1-benzothiophen-3-yl)methyl]-1-methylpyrrolidine
PubChem CID178102820
Molecular FormulaC16H23NO2S
Molecular Weight293.43 g/mol
Exact Mass293.14
IUPAC Name2-[(5,6-dimethoxy-2,3-dihydro-1-benzothiophen-3-yl)methyl]-1-methylpyrrolidine
SMILESCOc1cc2c(cc1OC)C(CC1CCCN1C)CS2
InChIInChI=1S/C16H23NO2S/c1-17-6-4-5-12(17)7-11-10-20-16-9-15(19-3)14(18-2)8-13(11)16/h8-9,11-12H,4-7,10H2,1-3H3
InChIKeyMRIKVDQWMOBQQK-UHFFFAOYSA-N
XLogP3.38
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(5,6-dimethoxy-2,3-dihydro-1-benzothiophen-3-yl)methyl]-1-methylpyrrolidine 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-[(5-methoxy-2,3-dihydro-1-benzothiophen-3-yl)methyl]-1-methylpyrrolidine
CID 178102472
2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-methylpyrrolidine
CID 178102510
(2R)-2-[(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)methyl]-1-methylpyrrolidine
CID 178102587
(2R)-2-[[5-(cyclopropylmethoxy)-2,3-dihydro-1-benzothiophen-3-yl]methyl]-1-methylpyrrolidine
CID 178102579
(2R)-1-methyl-2-[[5-(oxan-4-yl)-2,3-dihydro-1-benzothiophen-3-yl]methyl]pyrrolidine
CID 178102625
(2R)-1-methyl-2-[[(3R)-5-thiophen-3-yl-2,3-dihydro-1-benzothiophen-3-yl]methyl]pyrrolidine
CID 178102520
(2R)-1-methyl-2-[(4,5,6-trimethoxy-2,3-dihydro-1H-inden-1-yl)methyl]pyrrolidine
CID 178102701
2-[(3,4-dimethoxyphenyl)methyl]-1-methylpyrrolidine
CID 23452506
(2R)-2-[(4-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]-1-methylpyrrolidine
CID 178102515
(2R)-2-[[(3S)-4-methoxy-2,3-dihydro-1-benzofuran-3-yl]methyl]-1-methylpyrrolidine
CID 178102740
(3S)-5-methoxy-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2,3-dihydro-1-benzothiophene 1,1-dioxide
CID 178102736
(3R)-5-methoxy-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2,3-dihydro-1-benzothiophene 1,1-dioxide
CID 178102581

Frequently Asked Questions

What is the IUPAC name of 2-[(5,6-dimethoxy-2,3-dihydro-1-benzothiophen-3-yl)methyl]-1-methylpyrrolidine?
The IUPAC name of 2-[(5,6-dimethoxy-2,3-dihydro-1-benzothiophen-3-yl)methyl]-1-methylpyrrolidine (CID 178102820) is 2-[(5,6-dimethoxy-2,3-dihydro-1-benzothiophen-3-yl)methyl]-1-methylpyrrolidine.
What is the SMILES notation for 2-[(5,6-dimethoxy-2,3-dihydro-1-benzothiophen-3-yl)methyl]-1-methylpyrrolidine?
The canonical SMILES for 2-[(5,6-dimethoxy-2,3-dihydro-1-benzothiophen-3-yl)methyl]-1-methylpyrrolidine is COc1cc2c(cc1OC)C(CC1CCCN1C)CS2.
What is the InChIKey of 2-[(5,6-dimethoxy-2,3-dihydro-1-benzothiophen-3-yl)methyl]-1-methylpyrrolidine?
The InChIKey is MRIKVDQWMOBQQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2S/c1-17-6-4-5-12(17)7-11-10-20-16-9-15(19-3)14(18-2)8-13(11)16/h8-9,11-12H,4-7,10H2,1-3H3.
What are the key properties of 2-[(5,6-dimethoxy-2,3-dihydro-1-benzothiophen-3-yl)methyl]-1-methylpyrrolidine?
2-[(5,6-dimethoxy-2,3-dihydro-1-benzothiophen-3-yl)methyl]-1-methylpyrrolidine has a molecular weight of 293.43 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,6-dimethoxy-2,3-dihydro-1-benzothiophen-3-yl)methyl]-1-methylpyrrolidine is sourced from PubChem (CID 178102820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).