4-(5-pyrrolidin-1-ylthiophen-2-yl)benzonitrile

C15H14N2S — CID 132992010

IUPAC4-(5-pyrrolidin-1-ylthiophen-2-yl)benzonitrile
SMILESN#Cc1ccc(-c2ccc(N3CCCC3)s2)cc1
InChIInChI=1S/C15H14N2S/c16-11-12-3-5-13(6-4-12)14-7-8-15(18-14)17-9-1-2-10-17/h3-8H,1-2,9-10H2
InChIKeySXEIMCDOKVBYNY-UHFFFAOYSA-N
MW254.36 g/mol
LogP3.89
Rot. Bonds2

About 4-(5-pyrrolidin-1-ylthiophen-2-yl)benzonitrile

4-(5-pyrrolidin-1-ylthiophen-2-yl)benzonitrile (PubChem CID 132992010) has the molecular formula C15H14N2S and a molecular weight of 254.36 g/mol. Its IUPAC name is 4-(5-pyrrolidin-1-ylthiophen-2-yl)benzonitrile.

Molecular Properties

Compound Name4-(5-pyrrolidin-1-ylthiophen-2-yl)benzonitrile
PubChem CID132992010
Molecular FormulaC15H14N2S
Molecular Weight254.36 g/mol
Exact Mass254.09
IUPAC Name4-(5-pyrrolidin-1-ylthiophen-2-yl)benzonitrile
SMILESN#Cc1ccc(-c2ccc(N3CCCC3)s2)cc1
InChIInChI=1S/C15H14N2S/c16-11-12-3-5-13(6-4-12)14-7-8-15(18-14)17-9-1-2-10-17/h3-8H,1-2,9-10H2
InChIKeySXEIMCDOKVBYNY-UHFFFAOYSA-N
XLogP3.89
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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1-(4-Phenylthiophen-2-yl)piperidine
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N',N'-diethyl-N-methyl-N-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]ethane-1,2-diamine
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2-[1-(2,3,4,5,6-Pentafluorophenyl)-3-(5-piperidin-1-ylthiophen-2-yl)prop-2-enylidene]propanedinitrile
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2-Fluoro-4-[5-methyl-2-(4-pyrrolidin-1-ylphenyl)thiophen-3-yl]benzonitrile
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2-Fluoro-4-[2-(2-fluoro-4-pyrrolidin-1-ylphenyl)-5-methylthiophen-3-yl]benzonitrile
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Frequently Asked Questions

What is the IUPAC name of 4-(5-pyrrolidin-1-ylthiophen-2-yl)benzonitrile?
The IUPAC name of 4-(5-pyrrolidin-1-ylthiophen-2-yl)benzonitrile (CID 132992010) is 4-(5-pyrrolidin-1-ylthiophen-2-yl)benzonitrile.
What is the SMILES notation for 4-(5-pyrrolidin-1-ylthiophen-2-yl)benzonitrile?
The canonical SMILES for 4-(5-pyrrolidin-1-ylthiophen-2-yl)benzonitrile is N#Cc1ccc(-c2ccc(N3CCCC3)s2)cc1.
What is the InChIKey of 4-(5-pyrrolidin-1-ylthiophen-2-yl)benzonitrile?
The InChIKey is SXEIMCDOKVBYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2S/c16-11-12-3-5-13(6-4-12)14-7-8-15(18-14)17-9-1-2-10-17/h3-8H,1-2,9-10H2.
What are the key properties of 4-(5-pyrrolidin-1-ylthiophen-2-yl)benzonitrile?
4-(5-pyrrolidin-1-ylthiophen-2-yl)benzonitrile has a molecular weight of 254.36 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-pyrrolidin-1-ylthiophen-2-yl)benzonitrile is sourced from PubChem (CID 132992010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).