3-amino-5-piperidin-1-ylthiophene-2,4-dicarbonitrile

C11H12N4S — CID 103419822

IUPAC3-amino-5-piperidin-1-ylthiophene-2,4-dicarbonitrile
SMILESN#Cc1sc(N2CCCCC2)c(C#N)c1N
InChIInChI=1S/C11H12N4S/c12-6-8-10(14)9(7-13)16-11(8)15-4-2-1-3-5-15/h1-5,14H2
InChIKeyPLMXKUIXAKJYPC-UHFFFAOYSA-N
MW232.31 g/mol
LogP2.06
Rot. Bonds1

About 3-amino-5-piperidin-1-ylthiophene-2,4-dicarbonitrile

3-amino-5-piperidin-1-ylthiophene-2,4-dicarbonitrile (PubChem CID 103419822) has the molecular formula C11H12N4S and a molecular weight of 232.31 g/mol. Its IUPAC name is 3-amino-5-piperidin-1-ylthiophene-2,4-dicarbonitrile.

Molecular Properties

Compound Name3-amino-5-piperidin-1-ylthiophene-2,4-dicarbonitrile
PubChem CID103419822
Molecular FormulaC11H12N4S
Molecular Weight232.31 g/mol
Exact Mass232.08
IUPAC Name3-amino-5-piperidin-1-ylthiophene-2,4-dicarbonitrile
SMILESN#Cc1sc(N2CCCCC2)c(C#N)c1N
InChIInChI=1S/C11H12N4S/c12-6-8-10(14)9(7-13)16-11(8)15-4-2-1-3-5-15/h1-5,14H2
InChIKeyPLMXKUIXAKJYPC-UHFFFAOYSA-N
XLogP2.06
TPSA76.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-Amino-4-methylsulfanyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]thiophene-2-carbonitrile
CID 103421854
3-Amino-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]thiophene-2,4-dicarbonitrile
CID 103421855
3-Amino-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2,4-dicarbonitrile
CID 103422817
3-Amino-4-cyclopropyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carbonitrile
CID 103422832
3-Amino-4-methylsulfanyl-5-[3-(trifluoromethyl)piperidin-1-yl]thiophene-2-carbonitrile
CID 103422868
3-Amino-5-[3-(trifluoromethyl)piperidin-1-yl]thiophene-2,4-dicarbonitrile
CID 103422870
3-Amino-4-cyclopropyl-5-[3-(trifluoromethyl)piperidin-1-yl]thiophene-2-carbonitrile
CID 103422874
3-Amino-5-[3-(trifluoromethyl)piperidin-1-yl]thiophene-2-carbonitrile
CID 103422883
3-Amino-4-methylsulfanyl-5-[4-(trifluoromethyl)piperidin-1-yl]thiophene-2-carbonitrile
CID 103422890
3-Amino-5-[4-(trifluoromethyl)piperidin-1-yl]thiophene-2,4-dicarbonitrile
CID 103422892
3-Amino-4-cyclopropyl-5-[4-(trifluoromethyl)piperidin-1-yl]thiophene-2-carbonitrile
CID 103422896
3-Amino-5-(2,2,2-trifluoroethylamino)thiophene-2,4-dicarbonitrile
CID 103425787

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-piperidin-1-ylthiophene-2,4-dicarbonitrile?
The IUPAC name of 3-amino-5-piperidin-1-ylthiophene-2,4-dicarbonitrile (CID 103419822) is 3-amino-5-piperidin-1-ylthiophene-2,4-dicarbonitrile.
What is the SMILES notation for 3-amino-5-piperidin-1-ylthiophene-2,4-dicarbonitrile?
The canonical SMILES for 3-amino-5-piperidin-1-ylthiophene-2,4-dicarbonitrile is N#Cc1sc(N2CCCCC2)c(C#N)c1N.
What is the InChIKey of 3-amino-5-piperidin-1-ylthiophene-2,4-dicarbonitrile?
The InChIKey is PLMXKUIXAKJYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4S/c12-6-8-10(14)9(7-13)16-11(8)15-4-2-1-3-5-15/h1-5,14H2.
What are the key properties of 3-amino-5-piperidin-1-ylthiophene-2,4-dicarbonitrile?
3-amino-5-piperidin-1-ylthiophene-2,4-dicarbonitrile has a molecular weight of 232.31 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-piperidin-1-ylthiophene-2,4-dicarbonitrile is sourced from PubChem (CID 103419822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).