piperazine;thiophene-2-carboxylic acid

C9H14N2O2S — CID 54602430

IUPACpiperazine;thiophene-2-carboxylic acid
SMILESC1CNCCN1.O=C(O)c1cccs1
InChIInChI=1S/C5H4O2S.C4H10N2/c6-5(7)4-2-1-3-8-4;1-2-6-4-3-5-1/h1-3H,(H,6,7);5-6H,1-4H2
InChIKeyQOIZDMYEDBRHCD-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.63
Rot. Bonds1

About piperazine;thiophene-2-carboxylic acid

piperazine;thiophene-2-carboxylic acid (PubChem CID 54602430) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is piperazine;thiophene-2-carboxylic acid.

Molecular Properties

Compound Namepiperazine;thiophene-2-carboxylic acid
PubChem CID54602430
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Namepiperazine;thiophene-2-carboxylic acid
SMILESC1CNCCN1.O=C(O)c1cccs1
InChIInChI=1S/C5H4O2S.C4H10N2/c6-5(7)4-2-1-3-8-4;1-2-6-4-3-5-1/h1-3H,(H,6,7);5-6H,1-4H2
InChIKeyQOIZDMYEDBRHCD-UHFFFAOYSA-N
XLogP0.63
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of piperazine;thiophene-2-carboxylic acid?
The IUPAC name of piperazine;thiophene-2-carboxylic acid (CID 54602430) is piperazine;thiophene-2-carboxylic acid.
What is the SMILES notation for piperazine;thiophene-2-carboxylic acid?
The canonical SMILES for piperazine;thiophene-2-carboxylic acid is C1CNCCN1.O=C(O)c1cccs1.
What is the InChIKey of piperazine;thiophene-2-carboxylic acid?
The InChIKey is QOIZDMYEDBRHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4O2S.C4H10N2/c6-5(7)4-2-1-3-8-4;1-2-6-4-3-5-1/h1-3H,(H,6,7);5-6H,1-4H2.
What are the key properties of piperazine;thiophene-2-carboxylic acid?
piperazine;thiophene-2-carboxylic acid has a molecular weight of 214.29 g/mol, XLogP of 0.63, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperazine;thiophene-2-carboxylic acid is sourced from PubChem (CID 54602430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).