1-pyridin-2-yl-4-thiophen-2-ylsulfonylpiperazine

C13H15N3O2S2 — CID 2936694

IUPAC1-pyridin-2-yl-4-thiophen-2-ylsulfonylpiperazine
SMILESO=S(=O)(c1cccs1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C13H15N3O2S2/c17-20(18,13-5-3-11-19-13)16-9-7-15(8-10-16)12-4-1-2-6-14-12/h1-6,11H,7-10H2
InChIKeyXEFSPLRLBPGJHY-UHFFFAOYSA-N
MW309.42 g/mol
LogP1.65
Rot. Bonds3

About 1-pyridin-2-yl-4-thiophen-2-ylsulfonylpiperazine

1-pyridin-2-yl-4-thiophen-2-ylsulfonylpiperazine (PubChem CID 2936694) has the molecular formula C13H15N3O2S2 and a molecular weight of 309.42 g/mol. Its IUPAC name is 1-pyridin-2-yl-4-thiophen-2-ylsulfonylpiperazine.

Molecular Properties

Compound Name1-pyridin-2-yl-4-thiophen-2-ylsulfonylpiperazine
PubChem CID2936694
Molecular FormulaC13H15N3O2S2
Molecular Weight309.42 g/mol
Exact Mass309.06
IUPAC Name1-pyridin-2-yl-4-thiophen-2-ylsulfonylpiperazine
SMILESO=S(=O)(c1cccs1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C13H15N3O2S2/c17-20(18,13-5-3-11-19-13)16-9-7-15(8-10-16)12-4-1-2-6-14-12/h1-6,11H,7-10H2
InChIKeyXEFSPLRLBPGJHY-UHFFFAOYSA-N
XLogP1.65
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-pyridin-2-yl-4-thiophen-2-ylsulfonylpiperazine?
The IUPAC name of 1-pyridin-2-yl-4-thiophen-2-ylsulfonylpiperazine (CID 2936694) is 1-pyridin-2-yl-4-thiophen-2-ylsulfonylpiperazine.
What is the SMILES notation for 1-pyridin-2-yl-4-thiophen-2-ylsulfonylpiperazine?
The canonical SMILES for 1-pyridin-2-yl-4-thiophen-2-ylsulfonylpiperazine is O=S(=O)(c1cccs1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 1-pyridin-2-yl-4-thiophen-2-ylsulfonylpiperazine?
The InChIKey is XEFSPLRLBPGJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S2/c17-20(18,13-5-3-11-19-13)16-9-7-15(8-10-16)12-4-1-2-6-14-12/h1-6,11H,7-10H2.
What are the key properties of 1-pyridin-2-yl-4-thiophen-2-ylsulfonylpiperazine?
1-pyridin-2-yl-4-thiophen-2-ylsulfonylpiperazine has a molecular weight of 309.42 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-2-yl-4-thiophen-2-ylsulfonylpiperazine is sourced from PubChem (CID 2936694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).