1-[[2,3-dihydro-1-benzothiophen-3-ylmethyl(methyl)amino]methyl]-N,N-dimethylcyclobutan-1-amine

C17H26N2S — CID 105416309

IUPAC1-[[2,3-dihydro-1-benzothiophen-3-ylmethyl(methyl)amino]methyl]-N,N-dimethylcyclobutan-1-amine
SMILESCN(CC1CSc2ccccc21)CC1(N(C)C)CCC1
InChIInChI=1S/C17H26N2S/c1-18(2)17(9-6-10-17)13-19(3)11-14-12-20-16-8-5-4-7-15(14)16/h4-5,7-8,14H,6,9-13H2,1-3H3
InChIKeyYCHWRNUOJQEJFI-UHFFFAOYSA-N
MW290.48 g/mol
LogP3.29
Rot. Bonds5

About 1-[[2,3-dihydro-1-benzothiophen-3-ylmethyl(methyl)amino]methyl]-N,N-dimethylcyclobutan-1-amine

1-[[2,3-dihydro-1-benzothiophen-3-ylmethyl(methyl)amino]methyl]-N,N-dimethylcyclobutan-1-amine (PubChem CID 105416309) has the molecular formula C17H26N2S and a molecular weight of 290.48 g/mol. Its IUPAC name is 1-[[2,3-dihydro-1-benzothiophen-3-ylmethyl(methyl)amino]methyl]-N,N-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name1-[[2,3-dihydro-1-benzothiophen-3-ylmethyl(methyl)amino]methyl]-N,N-dimethylcyclobutan-1-amine
PubChem CID105416309
Molecular FormulaC17H26N2S
Molecular Weight290.48 g/mol
Exact Mass290.18
IUPAC Name1-[[2,3-dihydro-1-benzothiophen-3-ylmethyl(methyl)amino]methyl]-N,N-dimethylcyclobutan-1-amine
SMILESCN(CC1CSc2ccccc21)CC1(N(C)C)CCC1
InChIInChI=1S/C17H26N2S/c1-18(2)17(9-6-10-17)13-19(3)11-14-12-20-16-8-5-4-7-15(14)16/h4-5,7-8,14H,6,9-13H2,1-3H3
InChIKeyYCHWRNUOJQEJFI-UHFFFAOYSA-N
XLogP3.29
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.48
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[[2,3-dihydro-1-benzothiophen-3-ylmethyl(methyl)amino]methyl]-N,N-dimethylcyclobutan-1-amine 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

(2R)-2-[[(3R)-5-fluoro-2,3-dihydro-1-benzothiophen-3-yl]methyl]-1-methylpyrrolidine
CID 178102429
(2R)-2-[[(3S)-5-fluoro-2,3-dihydro-1-benzothiophen-3-yl]methyl]-1-methylpiperidine
CID 178102527
(2R)-2-[[(3S)-5-fluoro-2,3-dihydro-1-benzothiophen-3-yl]methyl]-1-methylpyrrolidine
CID 178102627
2-[[(3R)-5-ethyl-3-fluoro-2H-1-benzothiophen-3-yl]methyl]-1,2-dimethylpyrrolidine
CID 178102637
(2R)-2-[(5-fluoro-2,3-dihydro-1-benzothiophen-3-yl)methyl]-1-methylpyrrolidine
CID 178102663
(2S)-2-[(5-fluoro-2,3-dihydro-1-benzothiophen-3-yl)methyl]-1-methylpyrrolidine
CID 178102779
1-(2,3-Dihydro-1-benzothiophen-3-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 79311814
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3,3,3-trifluoro-N-methylpropan-1-amine
CID 79315195
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-(2,2,2-trifluoroethyl)cyclopropanamine
CID 79315316
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 79315527
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-ethyl-2,2,2-trifluoroethanamine
CID 79315598
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 79315743

Frequently Asked Questions

What is the IUPAC name of 1-[[2,3-dihydro-1-benzothiophen-3-ylmethyl(methyl)amino]methyl]-N,N-dimethylcyclobutan-1-amine?
The IUPAC name of 1-[[2,3-dihydro-1-benzothiophen-3-ylmethyl(methyl)amino]methyl]-N,N-dimethylcyclobutan-1-amine (CID 105416309) is 1-[[2,3-dihydro-1-benzothiophen-3-ylmethyl(methyl)amino]methyl]-N,N-dimethylcyclobutan-1-amine.
What is the SMILES notation for 1-[[2,3-dihydro-1-benzothiophen-3-ylmethyl(methyl)amino]methyl]-N,N-dimethylcyclobutan-1-amine?
The canonical SMILES for 1-[[2,3-dihydro-1-benzothiophen-3-ylmethyl(methyl)amino]methyl]-N,N-dimethylcyclobutan-1-amine is CN(CC1CSc2ccccc21)CC1(N(C)C)CCC1.
What is the InChIKey of 1-[[2,3-dihydro-1-benzothiophen-3-ylmethyl(methyl)amino]methyl]-N,N-dimethylcyclobutan-1-amine?
The InChIKey is YCHWRNUOJQEJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2S/c1-18(2)17(9-6-10-17)13-19(3)11-14-12-20-16-8-5-4-7-15(14)16/h4-5,7-8,14H,6,9-13H2,1-3H3.
What are the key properties of 1-[[2,3-dihydro-1-benzothiophen-3-ylmethyl(methyl)amino]methyl]-N,N-dimethylcyclobutan-1-amine?
1-[[2,3-dihydro-1-benzothiophen-3-ylmethyl(methyl)amino]methyl]-N,N-dimethylcyclobutan-1-amine has a molecular weight of 290.48 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2,3-dihydro-1-benzothiophen-3-ylmethyl(methyl)amino]methyl]-N,N-dimethylcyclobutan-1-amine is sourced from PubChem (CID 105416309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).