5-piperidin-1-ylthiophene-2-carbonitrile

C10H12N2S — CID 83878239

IUPAC5-piperidin-1-ylthiophene-2-carbonitrile
SMILESN#Cc1ccc(N2CCCCC2)s1
InChIInChI=1S/C10H12N2S/c11-8-9-4-5-10(13-9)12-6-2-1-3-7-12/h4-5H,1-3,6-7H2
InChIKeyIPTCPQSYVKGVBE-UHFFFAOYSA-N
MW192.29 g/mol
LogP2.61
Rot. Bonds1

About 5-piperidin-1-ylthiophene-2-carbonitrile

5-piperidin-1-ylthiophene-2-carbonitrile (PubChem CID 83878239) has the molecular formula C10H12N2S and a molecular weight of 192.29 g/mol. Its IUPAC name is 5-piperidin-1-ylthiophene-2-carbonitrile.

Molecular Properties

Compound Name5-piperidin-1-ylthiophene-2-carbonitrile
PubChem CID83878239
Molecular FormulaC10H12N2S
Molecular Weight192.29 g/mol
Exact Mass192.07
IUPAC Name5-piperidin-1-ylthiophene-2-carbonitrile
SMILESN#Cc1ccc(N2CCCCC2)s1
InChIInChI=1S/C10H12N2S/c11-8-9-4-5-10(13-9)12-6-2-1-3-7-12/h4-5H,1-3,6-7H2
InChIKeyIPTCPQSYVKGVBE-UHFFFAOYSA-N
XLogP2.61
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.29
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-2-cyano-3-(5-piperidin-1-ylthiophen-2-yl)prop-2-enoic acid
CID 43170000
4-bromo-5-pyrrolidin-1-ylthiophene-2-carbonitrile
CID 83901510
(2E,4E)-2-methyl-5-[5-(5-piperidin-1-ylthiophen-2-yl)thiophen-2-yl]penta-2,4-dienenitrile
CID 10688540
5-[[(2-oxo-2-piperidin-1-ylethyl)amino]methyl]thiophene-2-carbonitrile
CID 115675572
5-[5-(5-cyanothiophen-2-yl)thiophen-2-yl]thiophene-2-carbonitrile
CID 11500375
5-(1-aminocyclopropyl)thiophene-2-carbonitrile
CID 131566372
5-[(1-piperidin-1-ylpropan-2-ylamino)methyl]thiophene-2-carbonitrile
CID 113250050
4-amino-2-piperidin-1-ylbenzonitrile
CID 122504500
2-(azocan-1-yl)-4-bromobenzonitrile
CID 112694673
2-[(E)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]guanidine
CID 42914743
1-(5-cyanothiophen-2-yl)sulfonylpiperidine-2-carboxylic acid
CID 114165885
5-(azetidin-1-yl)thiophene-2-carboxylic acid
CID 130547578

Frequently Asked Questions

What is the IUPAC name of 5-piperidin-1-ylthiophene-2-carbonitrile?
The IUPAC name of 5-piperidin-1-ylthiophene-2-carbonitrile (CID 83878239) is 5-piperidin-1-ylthiophene-2-carbonitrile.
What is the SMILES notation for 5-piperidin-1-ylthiophene-2-carbonitrile?
The canonical SMILES for 5-piperidin-1-ylthiophene-2-carbonitrile is N#Cc1ccc(N2CCCCC2)s1.
What is the InChIKey of 5-piperidin-1-ylthiophene-2-carbonitrile?
The InChIKey is IPTCPQSYVKGVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2S/c11-8-9-4-5-10(13-9)12-6-2-1-3-7-12/h4-5H,1-3,6-7H2.
What are the key properties of 5-piperidin-1-ylthiophene-2-carbonitrile?
5-piperidin-1-ylthiophene-2-carbonitrile has a molecular weight of 192.29 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-1-ylthiophene-2-carbonitrile is sourced from PubChem (CID 83878239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).