2-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]cyclopentane-1-carbonitrile

C17H20N2S — CID 62962024

IUPAC2-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]cyclopentane-1-carbonitrile
SMILESCc1c(C(C)NC2CCCC2C#N)sc2ccccc12
InChIInChI=1S/C17H20N2S/c1-11-14-7-3-4-9-16(14)20-17(11)12(2)19-15-8-5-6-13(15)10-18/h3-4,7,9,12-13,15,19H,5-6,8H2,1-2H3
InChIKeyWFSYPROWJKTKFO-UHFFFAOYSA-N
MW284.43 g/mol
LogP4.55
Rot. Bonds3

About 2-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]cyclopentane-1-carbonitrile

2-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]cyclopentane-1-carbonitrile (PubChem CID 62962024) has the molecular formula C17H20N2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 2-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]cyclopentane-1-carbonitrile
PubChem CID62962024
Molecular FormulaC17H20N2S
Molecular Weight284.43 g/mol
Exact Mass284.13
IUPAC Name2-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]cyclopentane-1-carbonitrile
SMILESCc1c(C(C)NC2CCCC2C#N)sc2ccccc12
InChIInChI=1S/C17H20N2S/c1-11-14-7-3-4-9-16(14)20-17(11)12(2)19-15-8-5-6-13(15)10-18/h3-4,7,9,12-13,15,19H,5-6,8H2,1-2H3
InChIKeyWFSYPROWJKTKFO-UHFFFAOYSA-N
XLogP4.55
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]cyclobutanamine
CID 62415142
[2-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]cyclohexyl]methanol
CID 106359765
2-[[(1S)-1-phenylethyl]amino]cyclopentane-1-carbonitrile
CID 63868107
2,4-dimethyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]cyclohexan-1-amine
CID 63995668
2-[1-(5-methylthiophen-2-yl)ethylamino]cyclopentane-1-carbonitrile
CID 62743330
2-[1-(2-fluorophenyl)ethylamino]cyclopentane-1-carbonitrile
CID 55154369
N-(2-cyclopentylethyl)-1-(3-methyl-1-benzothiophen-2-yl)ethanamine
CID 63450474
1-(3-methyl-1-benzothiophen-2-yl)-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine
CID 106024105
2-(1-pyridin-2-ylethylamino)cyclopentane-1-carbonitrile
CID 62741303
N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]hydroxylamine
CID 82684826
2-(1-thiophen-2-ylethylamino)cycloheptane-1-carbonitrile
CID 62741305
2-[[(1R)-1-thiophen-2-ylethyl]amino]cycloheptane-1-carbonitrile
CID 81408481

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]cyclopentane-1-carbonitrile?
The IUPAC name of 2-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]cyclopentane-1-carbonitrile (CID 62962024) is 2-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]cyclopentane-1-carbonitrile?
The canonical SMILES for 2-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]cyclopentane-1-carbonitrile is Cc1c(C(C)NC2CCCC2C#N)sc2ccccc12.
What is the InChIKey of 2-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]cyclopentane-1-carbonitrile?
The InChIKey is WFSYPROWJKTKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2S/c1-11-14-7-3-4-9-16(14)20-17(11)12(2)19-15-8-5-6-13(15)10-18/h3-4,7,9,12-13,15,19H,5-6,8H2,1-2H3.
What are the key properties of 2-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]cyclopentane-1-carbonitrile?
2-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]cyclopentane-1-carbonitrile has a molecular weight of 284.43 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]cyclopentane-1-carbonitrile is sourced from PubChem (CID 62962024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).