1-ethylsulfonyl-4-pyridin-2-ylpiperazine

C11H17N3O2S — CID 4536240

IUPAC1-ethylsulfonyl-4-pyridin-2-ylpiperazine
SMILESCCS(=O)(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C11H17N3O2S/c1-2-17(15,16)14-9-7-13(8-10-14)11-5-3-4-6-12-11/h3-6H,2,7-10H2,1H3
InChIKeyIQGKKRKXSBXBCN-UHFFFAOYSA-N
MW255.34 g/mol
LogP0.55
Rot. Bonds3

About 1-ethylsulfonyl-4-pyridin-2-ylpiperazine

1-ethylsulfonyl-4-pyridin-2-ylpiperazine (PubChem CID 4536240) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 1-ethylsulfonyl-4-pyridin-2-ylpiperazine.

Molecular Properties

Compound Name1-ethylsulfonyl-4-pyridin-2-ylpiperazine
PubChem CID4536240
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name1-ethylsulfonyl-4-pyridin-2-ylpiperazine
SMILESCCS(=O)(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C11H17N3O2S/c1-2-17(15,16)14-9-7-13(8-10-14)11-5-3-4-6-12-11/h3-6H,2,7-10H2,1H3
InChIKeyIQGKKRKXSBXBCN-UHFFFAOYSA-N
XLogP0.55
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-4-pyridin-2-ylpiperazine?
The IUPAC name of 1-ethylsulfonyl-4-pyridin-2-ylpiperazine (CID 4536240) is 1-ethylsulfonyl-4-pyridin-2-ylpiperazine.
What is the SMILES notation for 1-ethylsulfonyl-4-pyridin-2-ylpiperazine?
The canonical SMILES for 1-ethylsulfonyl-4-pyridin-2-ylpiperazine is CCS(=O)(=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 1-ethylsulfonyl-4-pyridin-2-ylpiperazine?
The InChIKey is IQGKKRKXSBXBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-2-17(15,16)14-9-7-13(8-10-14)11-5-3-4-6-12-11/h3-6H,2,7-10H2,1H3.
What are the key properties of 1-ethylsulfonyl-4-pyridin-2-ylpiperazine?
1-ethylsulfonyl-4-pyridin-2-ylpiperazine has a molecular weight of 255.34 g/mol, XLogP of 0.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-4-pyridin-2-ylpiperazine is sourced from PubChem (CID 4536240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).