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

C14H22N2O2S — CID 567240

IUPAC1-methyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine
SMILESCc1cc(C)c(S(=O)(=O)N2CCN(C)CC2)c(C)c1
InChIInChI=1S/C14H22N2O2S/c1-11-9-12(2)14(13(3)10-11)19(17,18)16-7-5-15(4)6-8-16/h9-10H,5-8H2,1-4H3
InChIKeyRDDCRKZFTGZZDR-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.55
Rot. Bonds2

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

1-methyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine (PubChem CID 567240) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 1-methyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-methyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine
PubChem CID567240
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name1-methyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine
SMILESCc1cc(C)c(S(=O)(=O)N2CCN(C)CC2)c(C)c1
InChIInChI=1S/C14H22N2O2S/c1-11-9-12(2)14(13(3)10-11)19(17,18)16-7-5-15(4)6-8-16/h9-10H,5-8H2,1-4H3
InChIKeyRDDCRKZFTGZZDR-UHFFFAOYSA-N
XLogP1.55
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine?
The IUPAC name of 1-methyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine (CID 567240) is 1-methyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-methyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-methyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine is Cc1cc(C)c(S(=O)(=O)N2CCN(C)CC2)c(C)c1.
What is the InChIKey of 1-methyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine?
The InChIKey is RDDCRKZFTGZZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-11-9-12(2)14(13(3)10-11)19(17,18)16-7-5-15(4)6-8-16/h9-10H,5-8H2,1-4H3.
What are the key properties of 1-methyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine?
1-methyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine has a molecular weight of 282.41 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine is sourced from PubChem (CID 567240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).