1-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazine

C15H24N2O2S — CID 2090993

IUPAC1-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazine
SMILESCc1c(C)c(C)c(S(=O)(=O)N2CCNCC2)c(C)c1C
InChIInChI=1S/C15H24N2O2S/c1-10-11(2)13(4)15(14(5)12(10)3)20(18,19)17-8-6-16-7-9-17/h16H,6-9H2,1-5H3
InChIKeyXJXUQRNJJYGDSL-UHFFFAOYSA-N
MW296.44 g/mol
LogP1.82
Rot. Bonds2

About 1-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazine

1-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazine (PubChem CID 2090993) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 1-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazine
PubChem CID2090993
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name1-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazine
SMILESCc1c(C)c(C)c(S(=O)(=O)N2CCNCC2)c(C)c1C
InChIInChI=1S/C15H24N2O2S/c1-10-11(2)13(4)15(14(5)12(10)3)20(18,19)17-8-6-16-7-9-17/h16H,6-9H2,1-5H3
InChIKeyXJXUQRNJJYGDSL-UHFFFAOYSA-N
XLogP1.82
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazine?
The IUPAC name of 1-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazine (CID 2090993) is 1-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazine is Cc1c(C)c(C)c(S(=O)(=O)N2CCNCC2)c(C)c1C.
What is the InChIKey of 1-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazine?
The InChIKey is XJXUQRNJJYGDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-10-11(2)13(4)15(14(5)12(10)3)20(18,19)17-8-6-16-7-9-17/h16H,6-9H2,1-5H3.
What are the key properties of 1-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazine?
1-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazine has a molecular weight of 296.44 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazine is sourced from PubChem (CID 2090993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).