2-[(5-ethylthiophen-2-yl)methylamino]cyclopentane-1-carbonitrile

C13H18N2S — CID 62962759

IUPAC2-[(5-ethylthiophen-2-yl)methylamino]cyclopentane-1-carbonitrile
SMILESCCc1ccc(CNC2CCCC2C#N)s1
InChIInChI=1S/C13H18N2S/c1-2-11-6-7-12(16-11)9-15-13-5-3-4-10(13)8-14/h6-7,10,13,15H,2-5,9H2,1H3
InChIKeyWHBSICKDLDXJEA-UHFFFAOYSA-N
MW234.37 g/mol
LogP3.09
Rot. Bonds4

About 2-[(5-ethylthiophen-2-yl)methylamino]cyclopentane-1-carbonitrile

2-[(5-ethylthiophen-2-yl)methylamino]cyclopentane-1-carbonitrile (PubChem CID 62962759) has the molecular formula C13H18N2S and a molecular weight of 234.37 g/mol. Its IUPAC name is 2-[(5-ethylthiophen-2-yl)methylamino]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-[(5-ethylthiophen-2-yl)methylamino]cyclopentane-1-carbonitrile
PubChem CID62962759
Molecular FormulaC13H18N2S
Molecular Weight234.37 g/mol
Exact Mass234.12
IUPAC Name2-[(5-ethylthiophen-2-yl)methylamino]cyclopentane-1-carbonitrile
SMILESCCc1ccc(CNC2CCCC2C#N)s1
InChIInChI=1S/C13H18N2S/c1-2-11-6-7-12(16-11)9-15-13-5-3-4-10(13)8-14/h6-7,10,13,15H,2-5,9H2,1H3
InChIKeyWHBSICKDLDXJEA-UHFFFAOYSA-N
XLogP3.09
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.37
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethylthiophen-2-yl)methylamino]cyclopentane-1-carbonitrile?
The IUPAC name of 2-[(5-ethylthiophen-2-yl)methylamino]cyclopentane-1-carbonitrile (CID 62962759) is 2-[(5-ethylthiophen-2-yl)methylamino]cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-[(5-ethylthiophen-2-yl)methylamino]cyclopentane-1-carbonitrile?
The canonical SMILES for 2-[(5-ethylthiophen-2-yl)methylamino]cyclopentane-1-carbonitrile is CCc1ccc(CNC2CCCC2C#N)s1.
What is the InChIKey of 2-[(5-ethylthiophen-2-yl)methylamino]cyclopentane-1-carbonitrile?
The InChIKey is WHBSICKDLDXJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2S/c1-2-11-6-7-12(16-11)9-15-13-5-3-4-10(13)8-14/h6-7,10,13,15H,2-5,9H2,1H3.
What are the key properties of 2-[(5-ethylthiophen-2-yl)methylamino]cyclopentane-1-carbonitrile?
2-[(5-ethylthiophen-2-yl)methylamino]cyclopentane-1-carbonitrile has a molecular weight of 234.37 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethylthiophen-2-yl)methylamino]cyclopentane-1-carbonitrile is sourced from PubChem (CID 62962759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).