1-methyl-4-(2,3,4-trimethylphenyl)sulfonylpiperazine

C14H22N2O2S — CID 802816

IUPAC1-methyl-4-(2,3,4-trimethylphenyl)sulfonylpiperazine
SMILESCc1ccc(S(=O)(=O)N2CCN(C)CC2)c(C)c1C
InChIInChI=1S/C14H22N2O2S/c1-11-5-6-14(13(3)12(11)2)19(17,18)16-9-7-15(4)8-10-16/h5-6H,7-10H2,1-4H3
InChIKeyJREOVLFUWFJUDX-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.55
Rot. Bonds2

About 1-methyl-4-(2,3,4-trimethylphenyl)sulfonylpiperazine

1-methyl-4-(2,3,4-trimethylphenyl)sulfonylpiperazine (PubChem CID 802816) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 1-methyl-4-(2,3,4-trimethylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-methyl-4-(2,3,4-trimethylphenyl)sulfonylpiperazine
PubChem CID802816
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name1-methyl-4-(2,3,4-trimethylphenyl)sulfonylpiperazine
SMILESCc1ccc(S(=O)(=O)N2CCN(C)CC2)c(C)c1C
InChIInChI=1S/C14H22N2O2S/c1-11-5-6-14(13(3)12(11)2)19(17,18)16-9-7-15(4)8-10-16/h5-6H,7-10H2,1-4H3
InChIKeyJREOVLFUWFJUDX-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-(2,3,4-trimethylphenyl)sulfonylpiperazine?
The IUPAC name of 1-methyl-4-(2,3,4-trimethylphenyl)sulfonylpiperazine (CID 802816) is 1-methyl-4-(2,3,4-trimethylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-methyl-4-(2,3,4-trimethylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-methyl-4-(2,3,4-trimethylphenyl)sulfonylpiperazine is Cc1ccc(S(=O)(=O)N2CCN(C)CC2)c(C)c1C.
What is the InChIKey of 1-methyl-4-(2,3,4-trimethylphenyl)sulfonylpiperazine?
The InChIKey is JREOVLFUWFJUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-11-5-6-14(13(3)12(11)2)19(17,18)16-9-7-15(4)8-10-16/h5-6H,7-10H2,1-4H3.
What are the key properties of 1-methyl-4-(2,3,4-trimethylphenyl)sulfonylpiperazine?
1-methyl-4-(2,3,4-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-(2,3,4-trimethylphenyl)sulfonylpiperazine is sourced from PubChem (CID 802816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).