3-(cyclopentylsulfanylmethyl)pyridine-2-carbonitrile

C12H14N2S — CID 63115074

IUPAC3-(cyclopentylsulfanylmethyl)pyridine-2-carbonitrile
SMILESN#Cc1ncccc1CSC1CCCC1
InChIInChI=1S/C12H14N2S/c13-8-12-10(4-3-7-14-12)9-15-11-5-1-2-6-11/h3-4,7,11H,1-2,5-6,9H2
InChIKeyHGSWPFTVRLXPPU-UHFFFAOYSA-N
MW218.32 g/mol
LogP3.13
Rot. Bonds3

About 3-(cyclopentylsulfanylmethyl)pyridine-2-carbonitrile

3-(cyclopentylsulfanylmethyl)pyridine-2-carbonitrile (PubChem CID 63115074) has the molecular formula C12H14N2S and a molecular weight of 218.32 g/mol. Its IUPAC name is 3-(cyclopentylsulfanylmethyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-(cyclopentylsulfanylmethyl)pyridine-2-carbonitrile
PubChem CID63115074
Molecular FormulaC12H14N2S
Molecular Weight218.32 g/mol
Exact Mass218.09
IUPAC Name3-(cyclopentylsulfanylmethyl)pyridine-2-carbonitrile
SMILESN#Cc1ncccc1CSC1CCCC1
InChIInChI=1S/C12H14N2S/c13-8-12-10(4-3-7-14-12)9-15-11-5-1-2-6-11/h3-4,7,11H,1-2,5-6,9H2
InChIKeyHGSWPFTVRLXPPU-UHFFFAOYSA-N
XLogP3.13
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylsulfanylmethyl)pyridine-2-carbonitrile?
The IUPAC name of 3-(cyclopentylsulfanylmethyl)pyridine-2-carbonitrile (CID 63115074) is 3-(cyclopentylsulfanylmethyl)pyridine-2-carbonitrile.
What is the SMILES notation for 3-(cyclopentylsulfanylmethyl)pyridine-2-carbonitrile?
The canonical SMILES for 3-(cyclopentylsulfanylmethyl)pyridine-2-carbonitrile is N#Cc1ncccc1CSC1CCCC1.
What is the InChIKey of 3-(cyclopentylsulfanylmethyl)pyridine-2-carbonitrile?
The InChIKey is HGSWPFTVRLXPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2S/c13-8-12-10(4-3-7-14-12)9-15-11-5-1-2-6-11/h3-4,7,11H,1-2,5-6,9H2.
What are the key properties of 3-(cyclopentylsulfanylmethyl)pyridine-2-carbonitrile?
3-(cyclopentylsulfanylmethyl)pyridine-2-carbonitrile has a molecular weight of 218.32 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylsulfanylmethyl)pyridine-2-carbonitrile is sourced from PubChem (CID 63115074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).