1-(1-benzothiophen-2-yl)-3-cyclopentylpropan-1-amine

C16H21NS — CID 114193144

IUPAC1-(1-benzothiophen-2-yl)-3-cyclopentylpropan-1-amine
SMILESNC(CCC1CCCC1)c1cc2ccccc2s1
InChIInChI=1S/C16H21NS/c17-14(10-9-12-5-1-2-6-12)16-11-13-7-3-4-8-15(13)18-16/h3-4,7-8,11-12,14H,1-2,5-6,9-10,17H2
InChIKeyDJCBNWNUOZDWMQ-UHFFFAOYSA-N
MW259.42 g/mol
LogP4.87
Rot. Bonds4

About 1-(1-benzothiophen-2-yl)-3-cyclopentylpropan-1-amine

1-(1-benzothiophen-2-yl)-3-cyclopentylpropan-1-amine (PubChem CID 114193144) has the molecular formula C16H21NS and a molecular weight of 259.42 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-yl)-3-cyclopentylpropan-1-amine.

Molecular Properties

Compound Name1-(1-benzothiophen-2-yl)-3-cyclopentylpropan-1-amine
PubChem CID114193144
Molecular FormulaC16H21NS
Molecular Weight259.42 g/mol
Exact Mass259.14
IUPAC Name1-(1-benzothiophen-2-yl)-3-cyclopentylpropan-1-amine
SMILESNC(CCC1CCCC1)c1cc2ccccc2s1
InChIInChI=1S/C16H21NS/c17-14(10-9-12-5-1-2-6-12)16-11-13-7-3-4-8-15(13)18-16/h3-4,7-8,11-12,14H,1-2,5-6,9-10,17H2
InChIKeyDJCBNWNUOZDWMQ-UHFFFAOYSA-N
XLogP4.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.42
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-benzothiophen-2-yl)-3-cyclopentylpropan-1-ol
CID 143223012
[1-(1-benzothiophen-2-yl)-2-cyclopentylethyl]hydrazine
CID 105299057
1-(4-bromo-5-methylthiophen-2-yl)-3-cyclopentylpropan-1-amine
CID 102827024
3-cyclopentyl-1-naphthalen-2-ylpropan-1-amine
CID 115851068
1-(1-benzothiophen-2-yl)-2-cyclobutylethanol
CID 115802429
[1-[1-(1-benzothiophen-2-yl)ethyl]piperidin-3-yl]methanamine
CID 114910251
1-(5-bromothiophen-2-yl)-3-cyclopentylpropan-1-amine
CID 61103011
1-(5-bromo-4-methylthiophen-2-yl)-3-cyclopentylpropan-1-amine
CID 79992064
1-(1-benzothiophen-2-yl)ethanamine
CID 3904659
1-(1-benzothiophen-2-yl)-3-methylbutan-1-amine
CID 115782410
1-(4-bromo-5-chlorothiophen-2-yl)-3-cyclohexylpropan-1-amine
CID 102828089
3-cyclohexyl-1-phenylpropan-1-amine
CID 43110402

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-2-yl)-3-cyclopentylpropan-1-amine?
The IUPAC name of 1-(1-benzothiophen-2-yl)-3-cyclopentylpropan-1-amine (CID 114193144) is 1-(1-benzothiophen-2-yl)-3-cyclopentylpropan-1-amine.
What is the SMILES notation for 1-(1-benzothiophen-2-yl)-3-cyclopentylpropan-1-amine?
The canonical SMILES for 1-(1-benzothiophen-2-yl)-3-cyclopentylpropan-1-amine is NC(CCC1CCCC1)c1cc2ccccc2s1.
What is the InChIKey of 1-(1-benzothiophen-2-yl)-3-cyclopentylpropan-1-amine?
The InChIKey is DJCBNWNUOZDWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NS/c17-14(10-9-12-5-1-2-6-12)16-11-13-7-3-4-8-15(13)18-16/h3-4,7-8,11-12,14H,1-2,5-6,9-10,17H2.
What are the key properties of 1-(1-benzothiophen-2-yl)-3-cyclopentylpropan-1-amine?
1-(1-benzothiophen-2-yl)-3-cyclopentylpropan-1-amine has a molecular weight of 259.42 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-2-yl)-3-cyclopentylpropan-1-amine is sourced from PubChem (CID 114193144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).