1-(2,3-dihydro-1-benzothiophen-3-yl)-N-ethyl-3-thiophen-2-ylpropan-1-amine

C17H21NS2 — CID 105150234

IUPAC1-(2,3-dihydro-1-benzothiophen-3-yl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
SMILESCCNC(CCc1cccs1)C1CSc2ccccc21
InChIInChI=1S/C17H21NS2/c1-2-18-16(10-9-13-6-5-11-19-13)15-12-20-17-8-4-3-7-14(15)17/h3-8,11,15-16,18H,2,9-10,12H2,1H3
InChIKeyYUGOBHNAOKWIBW-UHFFFAOYSA-N
MW303.50 g/mol
LogP4.55
Rot. Bonds6

About 1-(2,3-dihydro-1-benzothiophen-3-yl)-N-ethyl-3-thiophen-2-ylpropan-1-amine

1-(2,3-dihydro-1-benzothiophen-3-yl)-N-ethyl-3-thiophen-2-ylpropan-1-amine (PubChem CID 105150234) has the molecular formula C17H21NS2 and a molecular weight of 303.50 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzothiophen-3-yl)-N-ethyl-3-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzothiophen-3-yl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
PubChem CID105150234
Molecular FormulaC17H21NS2
Molecular Weight303.50 g/mol
Exact Mass303.11
IUPAC Name1-(2,3-dihydro-1-benzothiophen-3-yl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
SMILESCCNC(CCc1cccs1)C1CSc2ccccc21
InChIInChI=1S/C17H21NS2/c1-2-18-16(10-9-13-6-5-11-19-13)15-12-20-17-8-4-3-7-14(15)17/h3-8,11,15-16,18H,2,9-10,12H2,1H3
InChIKeyYUGOBHNAOKWIBW-UHFFFAOYSA-N
XLogP4.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.50
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1-benzothiophen-3-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 105150379
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-ethylheptan-1-amine
CID 105125987
1-(2,3-dihydro-1-benzothiophen-3-yl)-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030479
N-ethyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-3-thiophen-2-ylpropan-1-amine
CID 105150413
1-(2,3-dihydro-1-benzothiophen-3-yl)-N-ethyl-3-methylpentan-1-amine
CID 105138341
1-(2,3-dihydro-1-benzothiophen-3-yl)-N-ethyl-2-thiophen-3-ylethanamine
CID 105137509
N-ethyl-1-(3-methyl-1,4-dithian-2-yl)-3-thiophen-2-ylpropan-1-amine
CID 115387152
N-[2,3-dihydro-1-benzothiophen-3-yl(phenyl)methyl]ethanamine
CID 105083790
1-cyclobutyl-N-ethyl-4-thiophen-2-ylbutan-2-amine
CID 103168700
3-cyclopropyl-1-(2,3-dihydro-1-benzothiophen-3-yl)-N-propylpropan-1-amine
CID 105157909
2-(3-chlorophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)-N-ethylethanamine
CID 105085901

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzothiophen-3-yl)-N-ethyl-3-thiophen-2-ylpropan-1-amine?
The IUPAC name of 1-(2,3-dihydro-1-benzothiophen-3-yl)-N-ethyl-3-thiophen-2-ylpropan-1-amine (CID 105150234) is 1-(2,3-dihydro-1-benzothiophen-3-yl)-N-ethyl-3-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzothiophen-3-yl)-N-ethyl-3-thiophen-2-ylpropan-1-amine?
The canonical SMILES for 1-(2,3-dihydro-1-benzothiophen-3-yl)-N-ethyl-3-thiophen-2-ylpropan-1-amine is CCNC(CCc1cccs1)C1CSc2ccccc21.
What is the InChIKey of 1-(2,3-dihydro-1-benzothiophen-3-yl)-N-ethyl-3-thiophen-2-ylpropan-1-amine?
The InChIKey is YUGOBHNAOKWIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NS2/c1-2-18-16(10-9-13-6-5-11-19-13)15-12-20-17-8-4-3-7-14(15)17/h3-8,11,15-16,18H,2,9-10,12H2,1H3.
What are the key properties of 1-(2,3-dihydro-1-benzothiophen-3-yl)-N-ethyl-3-thiophen-2-ylpropan-1-amine?
1-(2,3-dihydro-1-benzothiophen-3-yl)-N-ethyl-3-thiophen-2-ylpropan-1-amine has a molecular weight of 303.50 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzothiophen-3-yl)-N-ethyl-3-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 105150234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).