1-methyl-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine

C15H24N2O2S — CID 897460

IUPAC1-methyl-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCN(C)CC2)c1C
InChIInChI=1S/C15H24N2O2S/c1-11-10-12(2)14(4)15(13(11)3)20(18,19)17-8-6-16(5)7-9-17/h10H,6-9H2,1-5H3
InChIKeyQEOPBVQDPXFSQF-UHFFFAOYSA-N
MW296.44 g/mol
LogP1.86
Rot. Bonds2

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

1-methyl-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine (PubChem CID 897460) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 1-methyl-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-methyl-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine
PubChem CID897460
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name1-methyl-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCN(C)CC2)c1C
InChIInChI=1S/C15H24N2O2S/c1-11-10-12(2)14(4)15(13(11)3)20(18,19)17-8-6-16(5)7-9-17/h10H,6-9H2,1-5H3
InChIKeyQEOPBVQDPXFSQF-UHFFFAOYSA-N
XLogP1.86
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine?
The IUPAC name of 1-methyl-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine (CID 897460) is 1-methyl-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-methyl-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-methyl-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine is Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C)CC2)c1C.
What is the InChIKey of 1-methyl-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine?
The InChIKey is QEOPBVQDPXFSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-11-10-12(2)14(4)15(13(11)3)20(18,19)17-8-6-16(5)7-9-17/h10H,6-9H2,1-5H3.
What are the key properties of 1-methyl-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine?
1-methyl-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine has a molecular weight of 296.44 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine is sourced from PubChem (CID 897460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).