5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(3,4-dihydro-1H-isoquinolin-2-yl)methanone

C17H17NOS — CID 2349372

IUPAC5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESO=C(c1cc2c(s1)CCC2)N1CCc2ccccc2C1
InChIInChI=1S/C17H17NOS/c19-17(16-10-13-6-3-7-15(13)20-16)18-9-8-12-4-1-2-5-14(12)11-18/h1-2,4-5,10H,3,6-9,11H2
InChIKeyYBTJYPGPAALJSX-UHFFFAOYSA-N
MW283.40 g/mol
LogP3.44
Rot. Bonds1

About 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(3,4-dihydro-1H-isoquinolin-2-yl)methanone

5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(3,4-dihydro-1H-isoquinolin-2-yl)methanone (PubChem CID 2349372) has the molecular formula C17H17NOS and a molecular weight of 283.40 g/mol. Its IUPAC name is 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(3,4-dihydro-1H-isoquinolin-2-yl)methanone.

Molecular Properties

Compound Name5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(3,4-dihydro-1H-isoquinolin-2-yl)methanone
PubChem CID2349372
Molecular FormulaC17H17NOS
Molecular Weight283.40 g/mol
Exact Mass283.10
IUPAC Name5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESO=C(c1cc2c(s1)CCC2)N1CCc2ccccc2C1
InChIInChI=1S/C17H17NOS/c19-17(16-10-13-6-3-7-15(13)20-16)18-9-8-12-4-1-2-5-14(12)11-18/h1-2,4-5,10H,3,6-9,11H2
InChIKeyYBTJYPGPAALJSX-UHFFFAOYSA-N
XLogP3.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(3,4-dihydro-1H-isoquinolin-2-yl)methanone with MolForge

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Related Compounds

Phenyl-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 2740735
(5-bromothiophen-2-yl)(3,4-dihydroisoquinolin-2(1H)-yl)methanone
CID 2225166
3,4-dihydro-1H-isoquinolin-2-yl-(2-methylsulfanylphenyl)methanone
CID 2228740
(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-thiophen-2-ylmethanone
CID 2567966
[4-(5-Ethyl-4-methylthiophene-2-carbonyl)piperazin-1-yl]-phenylmethanone
CID 4780261
(4,5-dibromothiophen-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 4846218
4-Benzylpiperazinyl 2-thienyl ketone
CID 757483
1-(2-Phenylethyl)-4-(2-thienylcarbonyl)piperazine
CID 1246520
1-Benzyl-4-[(5-ethylthieno[2,3-b]thien-2-yl)carbonyl]piperazine
CID 1285074
3,4-dihydro-1H-isoquinolin-2-yl-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone
CID 4015631
N-benzyl-N-methyl-1-[(5-methyl-2-thienyl)carbonyl]-3-piperidinamine
CID 24819399
2-{[5-(1-Methyl-2-pyrrolidinyl)-2-thienyl]carbonyl}-1,2,3,4-tetrahydroisoquinoline
CID 45198787

Frequently Asked Questions

What is the IUPAC name of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The IUPAC name of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(3,4-dihydro-1H-isoquinolin-2-yl)methanone (CID 2349372) is 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(3,4-dihydro-1H-isoquinolin-2-yl)methanone.
What is the SMILES notation for 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The canonical SMILES for 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(3,4-dihydro-1H-isoquinolin-2-yl)methanone is O=C(c1cc2c(s1)CCC2)N1CCc2ccccc2C1.
What is the InChIKey of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The InChIKey is YBTJYPGPAALJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NOS/c19-17(16-10-13-6-3-7-15(13)20-16)18-9-8-12-4-1-2-5-14(12)11-18/h1-2,4-5,10H,3,6-9,11H2.
What are the key properties of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(3,4-dihydro-1H-isoquinolin-2-yl)methanone has a molecular weight of 283.40 g/mol, XLogP of 3.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(3,4-dihydro-1H-isoquinolin-2-yl)methanone is sourced from PubChem (CID 2349372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).