N-ethyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-3-thiophen-2-ylpropan-1-amine

C17H23NS2 — CID 105150413

IUPACN-ethyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-3-thiophen-2-ylpropan-1-amine
SMILESCCNC(CCc1cccs1)C1CCCc2sccc21
InChIInChI=1S/C17H23NS2/c1-2-18-16(9-8-13-5-4-11-19-13)14-6-3-7-17-15(14)10-12-20-17/h4-5,10-12,14,16,18H,2-3,6-9H2,1H3
InChIKeyFMXWHKOTHBOODA-UHFFFAOYSA-N
MW305.51 g/mol
LogP4.84
Rot. Bonds6

About N-ethyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-3-thiophen-2-ylpropan-1-amine

N-ethyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-3-thiophen-2-ylpropan-1-amine (PubChem CID 105150413) has the molecular formula C17H23NS2 and a molecular weight of 305.51 g/mol. Its IUPAC name is N-ethyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-3-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-3-thiophen-2-ylpropan-1-amine
PubChem CID105150413
Molecular FormulaC17H23NS2
Molecular Weight305.51 g/mol
Exact Mass305.13
IUPAC NameN-ethyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-3-thiophen-2-ylpropan-1-amine
SMILESCCNC(CCc1cccs1)C1CCCc2sccc21
InChIInChI=1S/C17H23NS2/c1-2-18-16(9-8-13-5-4-11-19-13)14-6-3-7-17-15(14)10-12-20-17/h4-5,10-12,14,16,18H,2-3,6-9H2,1H3
InChIKeyFMXWHKOTHBOODA-UHFFFAOYSA-N
XLogP4.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.51
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-3-thiophen-2-ylpropan-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

1-(2,3-dihydro-1H-inden-1-yl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
CID 65405145
1-(2,3-dihydro-1-benzothiophen-3-yl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
CID 105150234
N-ethyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)oct-7-en-1-amine
CID 107011322
N-ethyl-2-(3-fluorophenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethanamine
CID 105096166
3-cyclopropyl-N-propyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)propan-1-amine
CID 105157791
2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethanamine
CID 105171881
1-cyclobutyl-N-ethyl-4-thiophen-2-ylbutan-2-amine
CID 103168700
N-ethyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)prop-2-yn-1-amine
CID 105158475
N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pentan-1-amine
CID 105125750
N-ethyl-2-(1-methylimidazol-2-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethanamine
CID 105167288
N-ethyl-1-(3-methyl-1,4-dithian-2-yl)-3-thiophen-2-ylpropan-1-amine
CID 115387152
N-propyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)but-3-en-1-amine
CID 105108253

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-3-thiophen-2-ylpropan-1-amine?
The IUPAC name of N-ethyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-3-thiophen-2-ylpropan-1-amine (CID 105150413) is N-ethyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-3-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for N-ethyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-3-thiophen-2-ylpropan-1-amine?
The canonical SMILES for N-ethyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-3-thiophen-2-ylpropan-1-amine is CCNC(CCc1cccs1)C1CCCc2sccc21.
What is the InChIKey of N-ethyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-3-thiophen-2-ylpropan-1-amine?
The InChIKey is FMXWHKOTHBOODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NS2/c1-2-18-16(9-8-13-5-4-11-19-13)14-6-3-7-17-15(14)10-12-20-17/h4-5,10-12,14,16,18H,2-3,6-9H2,1H3.
What are the key properties of N-ethyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-3-thiophen-2-ylpropan-1-amine?
N-ethyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-3-thiophen-2-ylpropan-1-amine has a molecular weight of 305.51 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-3-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 105150413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).