2-(1-thiophen-3-ylethylamino)cyclopentane-1-carbonitrile

C12H16N2S — CID 62841523

IUPAC2-(1-thiophen-3-ylethylamino)cyclopentane-1-carbonitrile
SMILESCC(NC1CCCC1C#N)c1ccsc1
InChIInChI=1S/C12H16N2S/c1-9(11-5-6-15-8-11)14-12-4-2-3-10(12)7-13/h5-6,8-10,12,14H,2-4H2,1H3
InChIKeyKJSYJRPKXGYQJR-UHFFFAOYSA-N
MW220.34 g/mol
LogP3.09
Rot. Bonds3

About 2-(1-thiophen-3-ylethylamino)cyclopentane-1-carbonitrile

2-(1-thiophen-3-ylethylamino)cyclopentane-1-carbonitrile (PubChem CID 62841523) has the molecular formula C12H16N2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 2-(1-thiophen-3-ylethylamino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-(1-thiophen-3-ylethylamino)cyclopentane-1-carbonitrile
PubChem CID62841523
Molecular FormulaC12H16N2S
Molecular Weight220.34 g/mol
Exact Mass220.10
IUPAC Name2-(1-thiophen-3-ylethylamino)cyclopentane-1-carbonitrile
SMILESCC(NC1CCCC1C#N)c1ccsc1
InChIInChI=1S/C12H16N2S/c1-9(11-5-6-15-8-11)14-12-4-2-3-10(12)7-13/h5-6,8-10,12,14H,2-4H2,1H3
InChIKeyKJSYJRPKXGYQJR-UHFFFAOYSA-N
XLogP3.09
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1S,2S)-2-(1-thiophen-3-ylethylamino)cyclopentan-1-ol
CID 102733418
2-[[(1S)-1-phenylethyl]amino]cyclopentane-1-carbonitrile
CID 63868107
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]cyclopentane-1-carbonitrile
CID 81352755
2-[[(1S)-1-(4-methylphenyl)ethyl]amino]cyclohexane-1-carbonitrile
CID 81357000
2-[[(1R)-1-(4-methylphenyl)ethyl]amino]cycloheptane-1-carbonitrile
CID 81356243
2-[[(1R)-1-thiophen-2-ylethyl]amino]cycloheptane-1-carbonitrile
CID 81408481
2-(1-thiophen-2-ylethylamino)cycloheptane-1-carbonitrile
CID 62741305
2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]cycloheptane-1-carbonitrile
CID 81347113
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]cycloheptane-1-carbonitrile
CID 81351968
2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]cyclopentane-1-carbonitrile
CID 81365434
2-[1-(5-methylthiophen-2-yl)ethylamino]cyclopentane-1-carbonitrile
CID 62743330
N-(1-thiophen-3-ylethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 62090694

Frequently Asked Questions

What is the IUPAC name of 2-(1-thiophen-3-ylethylamino)cyclopentane-1-carbonitrile?
The IUPAC name of 2-(1-thiophen-3-ylethylamino)cyclopentane-1-carbonitrile (CID 62841523) is 2-(1-thiophen-3-ylethylamino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-(1-thiophen-3-ylethylamino)cyclopentane-1-carbonitrile?
The canonical SMILES for 2-(1-thiophen-3-ylethylamino)cyclopentane-1-carbonitrile is CC(NC1CCCC1C#N)c1ccsc1.
What is the InChIKey of 2-(1-thiophen-3-ylethylamino)cyclopentane-1-carbonitrile?
The InChIKey is KJSYJRPKXGYQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S/c1-9(11-5-6-15-8-11)14-12-4-2-3-10(12)7-13/h5-6,8-10,12,14H,2-4H2,1H3.
What are the key properties of 2-(1-thiophen-3-ylethylamino)cyclopentane-1-carbonitrile?
2-(1-thiophen-3-ylethylamino)cyclopentane-1-carbonitrile has a molecular weight of 220.34 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-thiophen-3-ylethylamino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 62841523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).