1-[2-(2,5-dimethylphenyl)sulfonylethyl]-4-pyridin-2-ylpiperazine

C19H25N3O2S — CID 17406413

IUPAC1-[2-(2,5-dimethylphenyl)sulfonylethyl]-4-pyridin-2-ylpiperazine
SMILESCc1ccc(C)c(S(=O)(=O)CCN2CCN(c3ccccn3)CC2)c1
InChIInChI=1S/C19H25N3O2S/c1-16-6-7-17(2)18(15-16)25(23,24)14-13-21-9-11-22(12-10-21)19-5-3-4-8-20-19/h3-8,15H,9-14H2,1-2H3
InChIKeyJCXNXBRRNBPJHU-UHFFFAOYSA-N
MW359.50 g/mol
LogP2.29
Rot. Bonds5

About 1-[2-(2,5-dimethylphenyl)sulfonylethyl]-4-pyridin-2-ylpiperazine

1-[2-(2,5-dimethylphenyl)sulfonylethyl]-4-pyridin-2-ylpiperazine (PubChem CID 17406413) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is 1-[2-(2,5-dimethylphenyl)sulfonylethyl]-4-pyridin-2-ylpiperazine.

Molecular Properties

Compound Name1-[2-(2,5-dimethylphenyl)sulfonylethyl]-4-pyridin-2-ylpiperazine
PubChem CID17406413
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC Name1-[2-(2,5-dimethylphenyl)sulfonylethyl]-4-pyridin-2-ylpiperazine
SMILESCc1ccc(C)c(S(=O)(=O)CCN2CCN(c3ccccn3)CC2)c1
InChIInChI=1S/C19H25N3O2S/c1-16-6-7-17(2)18(15-16)25(23,24)14-13-21-9-11-22(12-10-21)19-5-3-4-8-20-19/h3-8,15H,9-14H2,1-2H3
InChIKeyJCXNXBRRNBPJHU-UHFFFAOYSA-N
XLogP2.29
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 16812324
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CID 17460713
(2,5-dimethylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 925511
1-(2-bromoethyl)-4-pyridin-2-ylpiperazine
CID 61288555
N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]aniline
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N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]butan-2-amine
CID 55024348
3,7-dimethyl-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline
CID 2851670
N-(4-methylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 109030344
4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]morpholine
CID 13345110
2-(4-pyridin-2-ylpiperazin-1-yl)ethanamine;tetrahydrochloride
CID 23627586
1-(2,4-dimethylphenyl)sulfonyl-4-(2-pyridin-2-ylethyl)piperazine
CID 17408313
1-(2,5-dimethylphenyl)sulfonyl-4-(2-methylsulfonylethyl)piperazine
CID 95753287

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dimethylphenyl)sulfonylethyl]-4-pyridin-2-ylpiperazine?
The IUPAC name of 1-[2-(2,5-dimethylphenyl)sulfonylethyl]-4-pyridin-2-ylpiperazine (CID 17406413) is 1-[2-(2,5-dimethylphenyl)sulfonylethyl]-4-pyridin-2-ylpiperazine.
What is the SMILES notation for 1-[2-(2,5-dimethylphenyl)sulfonylethyl]-4-pyridin-2-ylpiperazine?
The canonical SMILES for 1-[2-(2,5-dimethylphenyl)sulfonylethyl]-4-pyridin-2-ylpiperazine is Cc1ccc(C)c(S(=O)(=O)CCN2CCN(c3ccccn3)CC2)c1.
What is the InChIKey of 1-[2-(2,5-dimethylphenyl)sulfonylethyl]-4-pyridin-2-ylpiperazine?
The InChIKey is JCXNXBRRNBPJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-16-6-7-17(2)18(15-16)25(23,24)14-13-21-9-11-22(12-10-21)19-5-3-4-8-20-19/h3-8,15H,9-14H2,1-2H3.
What are the key properties of 1-[2-(2,5-dimethylphenyl)sulfonylethyl]-4-pyridin-2-ylpiperazine?
1-[2-(2,5-dimethylphenyl)sulfonylethyl]-4-pyridin-2-ylpiperazine has a molecular weight of 359.50 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dimethylphenyl)sulfonylethyl]-4-pyridin-2-ylpiperazine is sourced from PubChem (CID 17406413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).