3-piperazin-1-ylthiophene-2-carbonitrile

C9H11N3S — CID 122163436

IUPAC3-piperazin-1-ylthiophene-2-carbonitrile
SMILESN#Cc1sccc1N1CCNCC1
InChIInChI=1S/C9H11N3S/c10-7-9-8(1-6-13-9)12-4-2-11-3-5-12/h1,6,11H,2-5H2
InChIKeyVJLJOSLVLVVDHU-UHFFFAOYSA-N
MW193.28 g/mol
LogP1.03
Rot. Bonds1

About 3-piperazin-1-ylthiophene-2-carbonitrile

3-piperazin-1-ylthiophene-2-carbonitrile (PubChem CID 122163436) has the molecular formula C9H11N3S and a molecular weight of 193.28 g/mol. Its IUPAC name is 3-piperazin-1-ylthiophene-2-carbonitrile.

Molecular Properties

Compound Name3-piperazin-1-ylthiophene-2-carbonitrile
PubChem CID122163436
Molecular FormulaC9H11N3S
Molecular Weight193.28 g/mol
Exact Mass193.07
IUPAC Name3-piperazin-1-ylthiophene-2-carbonitrile
SMILESN#Cc1sccc1N1CCNCC1
InChIInChI=1S/C9H11N3S/c10-7-9-8(1-6-13-9)12-4-2-11-3-5-12/h1,6,11H,2-5H2
InChIKeyVJLJOSLVLVVDHU-UHFFFAOYSA-N
XLogP1.03
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.28
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-piperazin-1-ylthiophene-2-carbonitrile?
The IUPAC name of 3-piperazin-1-ylthiophene-2-carbonitrile (CID 122163436) is 3-piperazin-1-ylthiophene-2-carbonitrile.
What is the SMILES notation for 3-piperazin-1-ylthiophene-2-carbonitrile?
The canonical SMILES for 3-piperazin-1-ylthiophene-2-carbonitrile is N#Cc1sccc1N1CCNCC1.
What is the InChIKey of 3-piperazin-1-ylthiophene-2-carbonitrile?
The InChIKey is VJLJOSLVLVVDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3S/c10-7-9-8(1-6-13-9)12-4-2-11-3-5-12/h1,6,11H,2-5H2.
What are the key properties of 3-piperazin-1-ylthiophene-2-carbonitrile?
3-piperazin-1-ylthiophene-2-carbonitrile has a molecular weight of 193.28 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperazin-1-ylthiophene-2-carbonitrile is sourced from PubChem (CID 122163436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).