1-(dithiophen-2-ylmethyl)piperazine

C13H16N2S2 — CID 3469672

IUPAC1-(dithiophen-2-ylmethyl)piperazine
SMILESc1csc(C(c2cccs2)N2CCNCC2)c1
InChIInChI=1S/C13H16N2S2/c1-3-11(16-9-1)13(12-4-2-10-17-12)15-7-5-14-6-8-15/h1-4,9-10,13-14H,5-8H2
InChIKeyFESVNZIUJNPUDX-UHFFFAOYSA-N
MW264.42 g/mol
LogP2.80
Rot. Bonds3

About 1-(dithiophen-2-ylmethyl)piperazine

1-(dithiophen-2-ylmethyl)piperazine (PubChem CID 3469672) has the molecular formula C13H16N2S2 and a molecular weight of 264.42 g/mol. Its IUPAC name is 1-(dithiophen-2-ylmethyl)piperazine.

Molecular Properties

Compound Name1-(dithiophen-2-ylmethyl)piperazine
PubChem CID3469672
Molecular FormulaC13H16N2S2
Molecular Weight264.42 g/mol
Exact Mass264.08
IUPAC Name1-(dithiophen-2-ylmethyl)piperazine
SMILESc1csc(C(c2cccs2)N2CCNCC2)c1
InChIInChI=1S/C13H16N2S2/c1-3-11(16-9-1)13(12-4-2-10-17-12)15-7-5-14-6-8-15/h1-4,9-10,13-14H,5-8H2
InChIKeyFESVNZIUJNPUDX-UHFFFAOYSA-N
XLogP2.80
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(dithiophen-2-ylmethyl)piperazine?
The IUPAC name of 1-(dithiophen-2-ylmethyl)piperazine (CID 3469672) is 1-(dithiophen-2-ylmethyl)piperazine.
What is the SMILES notation for 1-(dithiophen-2-ylmethyl)piperazine?
The canonical SMILES for 1-(dithiophen-2-ylmethyl)piperazine is c1csc(C(c2cccs2)N2CCNCC2)c1.
What is the InChIKey of 1-(dithiophen-2-ylmethyl)piperazine?
The InChIKey is FESVNZIUJNPUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S2/c1-3-11(16-9-1)13(12-4-2-10-17-12)15-7-5-14-6-8-15/h1-4,9-10,13-14H,5-8H2.
What are the key properties of 1-(dithiophen-2-ylmethyl)piperazine?
1-(dithiophen-2-ylmethyl)piperazine has a molecular weight of 264.42 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dithiophen-2-ylmethyl)piperazine is sourced from PubChem (CID 3469672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).