1-propylsulfonyl-4-pyridin-2-ylpiperazine

C12H19N3O2S — CID 888610

IUPAC1-propylsulfonyl-4-pyridin-2-ylpiperazine
SMILESCCCS(=O)(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C12H19N3O2S/c1-2-11-18(16,17)15-9-7-14(8-10-15)12-5-3-4-6-13-12/h3-6H,2,7-11H2,1H3
InChIKeyNYMBVWUZYDVROA-UHFFFAOYSA-N
MW269.37 g/mol
LogP0.94
Rot. Bonds4

About 1-propylsulfonyl-4-pyridin-2-ylpiperazine

1-propylsulfonyl-4-pyridin-2-ylpiperazine (PubChem CID 888610) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 1-propylsulfonyl-4-pyridin-2-ylpiperazine.

Molecular Properties

Compound Name1-propylsulfonyl-4-pyridin-2-ylpiperazine
PubChem CID888610
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name1-propylsulfonyl-4-pyridin-2-ylpiperazine
SMILESCCCS(=O)(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C12H19N3O2S/c1-2-11-18(16,17)15-9-7-14(8-10-15)12-5-3-4-6-13-12/h3-6H,2,7-11H2,1H3
InChIKeyNYMBVWUZYDVROA-UHFFFAOYSA-N
XLogP0.94
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-propylsulfonyl-4-pyridin-2-ylpiperazine?
The IUPAC name of 1-propylsulfonyl-4-pyridin-2-ylpiperazine (CID 888610) is 1-propylsulfonyl-4-pyridin-2-ylpiperazine.
What is the SMILES notation for 1-propylsulfonyl-4-pyridin-2-ylpiperazine?
The canonical SMILES for 1-propylsulfonyl-4-pyridin-2-ylpiperazine is CCCS(=O)(=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 1-propylsulfonyl-4-pyridin-2-ylpiperazine?
The InChIKey is NYMBVWUZYDVROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-2-11-18(16,17)15-9-7-14(8-10-15)12-5-3-4-6-13-12/h3-6H,2,7-11H2,1H3.
What are the key properties of 1-propylsulfonyl-4-pyridin-2-ylpiperazine?
1-propylsulfonyl-4-pyridin-2-ylpiperazine has a molecular weight of 269.37 g/mol, XLogP of 0.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propylsulfonyl-4-pyridin-2-ylpiperazine is sourced from PubChem (CID 888610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).