1-[2-(2,4-dimethylphenyl)sulfinylphenyl]-4-(2-methylpropyl)piperazine

C22H30N2OS — CID 174898006

IUPAC1-[2-(2,4-dimethylphenyl)sulfinylphenyl]-4-(2-methylpropyl)piperazine
SMILESCc1ccc(S(=O)c2ccccc2N2CCN(CC(C)C)CC2)c(C)c1
InChIInChI=1S/C22H30N2OS/c1-17(2)16-23-11-13-24(14-12-23)20-7-5-6-8-22(20)26(25)21-10-9-18(3)15-19(21)4/h5-10,15,17H,11-14,16H2,1-4H3
InChIKeyAEUKFBXZTKPACT-UHFFFAOYSA-N
MW370.56 g/mol
LogP4.25
Rot. Bonds5

About 1-[2-(2,4-dimethylphenyl)sulfinylphenyl]-4-(2-methylpropyl)piperazine

1-[2-(2,4-dimethylphenyl)sulfinylphenyl]-4-(2-methylpropyl)piperazine (PubChem CID 174898006) has the molecular formula C22H30N2OS and a molecular weight of 370.56 g/mol. Its IUPAC name is 1-[2-(2,4-dimethylphenyl)sulfinylphenyl]-4-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name1-[2-(2,4-dimethylphenyl)sulfinylphenyl]-4-(2-methylpropyl)piperazine
PubChem CID174898006
Molecular FormulaC22H30N2OS
Molecular Weight370.56 g/mol
Exact Mass370.21
IUPAC Name1-[2-(2,4-dimethylphenyl)sulfinylphenyl]-4-(2-methylpropyl)piperazine
SMILESCc1ccc(S(=O)c2ccccc2N2CCN(CC(C)C)CC2)c(C)c1
InChIInChI=1S/C22H30N2OS/c1-17(2)16-23-11-13-24(14-12-23)20-7-5-6-8-22(20)26(25)21-10-9-18(3)15-19(21)4/h5-10,15,17H,11-14,16H2,1-4H3
InChIKeyAEUKFBXZTKPACT-UHFFFAOYSA-N
XLogP4.25
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.56
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dimethylphenyl)sulfinylphenyl]-4-(2-methylpropyl)piperazine?
The IUPAC name of 1-[2-(2,4-dimethylphenyl)sulfinylphenyl]-4-(2-methylpropyl)piperazine (CID 174898006) is 1-[2-(2,4-dimethylphenyl)sulfinylphenyl]-4-(2-methylpropyl)piperazine.
What is the SMILES notation for 1-[2-(2,4-dimethylphenyl)sulfinylphenyl]-4-(2-methylpropyl)piperazine?
The canonical SMILES for 1-[2-(2,4-dimethylphenyl)sulfinylphenyl]-4-(2-methylpropyl)piperazine is Cc1ccc(S(=O)c2ccccc2N2CCN(CC(C)C)CC2)c(C)c1.
What is the InChIKey of 1-[2-(2,4-dimethylphenyl)sulfinylphenyl]-4-(2-methylpropyl)piperazine?
The InChIKey is AEUKFBXZTKPACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2OS/c1-17(2)16-23-11-13-24(14-12-23)20-7-5-6-8-22(20)26(25)21-10-9-18(3)15-19(21)4/h5-10,15,17H,11-14,16H2,1-4H3.
What are the key properties of 1-[2-(2,4-dimethylphenyl)sulfinylphenyl]-4-(2-methylpropyl)piperazine?
1-[2-(2,4-dimethylphenyl)sulfinylphenyl]-4-(2-methylpropyl)piperazine has a molecular weight of 370.56 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dimethylphenyl)sulfinylphenyl]-4-(2-methylpropyl)piperazine is sourced from PubChem (CID 174898006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).