1-(4-methylphenyl)sulfonyl-4-(2-methylpropyl)piperazine

C15H24N2O2S — CID 113072895

IUPAC1-(4-methylphenyl)sulfonyl-4-(2-methylpropyl)piperazine
SMILESCc1ccc(S(=O)(=O)N2CCN(CC(C)C)CC2)cc1
InChIInChI=1S/C15H24N2O2S/c1-13(2)12-16-8-10-17(11-9-16)20(18,19)15-6-4-14(3)5-7-15/h4-7,13H,8-12H2,1-3H3
InChIKeyVDISKSVXKJQHCZ-UHFFFAOYSA-N
MW296.44 g/mol
LogP1.96
Rot. Bonds4

About 1-(4-methylphenyl)sulfonyl-4-(2-methylpropyl)piperazine

1-(4-methylphenyl)sulfonyl-4-(2-methylpropyl)piperazine (PubChem CID 113072895) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-4-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-4-(2-methylpropyl)piperazine
PubChem CID113072895
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name1-(4-methylphenyl)sulfonyl-4-(2-methylpropyl)piperazine
SMILESCc1ccc(S(=O)(=O)N2CCN(CC(C)C)CC2)cc1
InChIInChI=1S/C15H24N2O2S/c1-13(2)12-16-8-10-17(11-9-16)20(18,19)15-6-4-14(3)5-7-15/h4-7,13H,8-12H2,1-3H3
InChIKeyVDISKSVXKJQHCZ-UHFFFAOYSA-N
XLogP1.96
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[4-(2-methylpropyl)piperazin-1-yl]sulfonylphenyl]methanamine
CID 62777478
1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butan-2-ol
CID 111105694
[4-[4-(2-methylpropyl)piperazin-1-yl]sulfonylphenyl]boronic acid
CID 75486095
1-ethylsulfonyl-4-(4-methylphenyl)sulfonylpiperazine
CID 719622
5-methyl-2-[4-(2-methylpropyl)piperazin-1-yl]sulfonylaniline
CID 61138407
1-(4-methylphenoxy)-3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-2-ol
CID 46798025
(2R)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 2427595
1-methyl-4,7,10-tris-(4-methylphenyl)sulfonyl-1,4,7,10-tetrazacyclododecane
CID 12035988
2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 8742873
4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butanenitrile
CID 8691903
1-(4-methylphenyl)sulfonyl-4-propan-2-ylpiperazin-4-ium
CID 4743157
4-methylbenzenesulfonic acid;1-(2-methylpropyl)piperidin-4-one
CID 173108914

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-4-(2-methylpropyl)piperazine?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-4-(2-methylpropyl)piperazine (CID 113072895) is 1-(4-methylphenyl)sulfonyl-4-(2-methylpropyl)piperazine.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-4-(2-methylpropyl)piperazine?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-4-(2-methylpropyl)piperazine is Cc1ccc(S(=O)(=O)N2CCN(CC(C)C)CC2)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-4-(2-methylpropyl)piperazine?
The InChIKey is VDISKSVXKJQHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-13(2)12-16-8-10-17(11-9-16)20(18,19)15-6-4-14(3)5-7-15/h4-7,13H,8-12H2,1-3H3.
What are the key properties of 1-(4-methylphenyl)sulfonyl-4-(2-methylpropyl)piperazine?
1-(4-methylphenyl)sulfonyl-4-(2-methylpropyl)piperazine has a molecular weight of 296.44 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-4-(2-methylpropyl)piperazine is sourced from PubChem (CID 113072895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).