1-ethyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine

C15H24N2O2S — CID 843242

IUPAC1-ethyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine
SMILESCCN1CCN(S(=O)(=O)c2c(C)cc(C)cc2C)CC1
InChIInChI=1S/C15H24N2O2S/c1-5-16-6-8-17(9-7-16)20(18,19)15-13(3)10-12(2)11-14(15)4/h10-11H,5-9H2,1-4H3
InChIKeySOXJSLQLODCEKC-UHFFFAOYSA-N
MW296.44 g/mol
LogP1.94
Rot. Bonds3

About 1-ethyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine

1-ethyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine (PubChem CID 843242) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 1-ethyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-ethyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine
PubChem CID843242
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name1-ethyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine
SMILESCCN1CCN(S(=O)(=O)c2c(C)cc(C)cc2C)CC1
InChIInChI=1S/C15H24N2O2S/c1-5-16-6-8-17(9-7-16)20(18,19)15-13(3)10-12(2)11-14(15)4/h10-11H,5-9H2,1-4H3
InChIKeySOXJSLQLODCEKC-UHFFFAOYSA-N
XLogP1.94
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine?
The IUPAC name of 1-ethyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine (CID 843242) is 1-ethyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-ethyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-ethyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine is CCN1CCN(S(=O)(=O)c2c(C)cc(C)cc2C)CC1.
What is the InChIKey of 1-ethyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine?
The InChIKey is SOXJSLQLODCEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-5-16-6-8-17(9-7-16)20(18,19)15-13(3)10-12(2)11-14(15)4/h10-11H,5-9H2,1-4H3.
What are the key properties of 1-ethyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine?
1-ethyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine has a molecular weight of 296.44 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine is sourced from PubChem (CID 843242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).