1-[2-(2,6-dimethylphenyl)sulfinylphenyl]piperazine

C18H22N2OS — CID 151229495

IUPAC1-[2-(2,6-dimethylphenyl)sulfinylphenyl]piperazine
SMILESCc1cccc(C)c1S(=O)c1ccccc1N1CCNCC1
InChIInChI=1S/C18H22N2OS/c1-14-6-5-7-15(2)18(14)22(21)17-9-4-3-8-16(17)20-12-10-19-11-13-20/h3-9,19H,10-13H2,1-2H3
InChIKeyNNZDNYDZKKHYFE-UHFFFAOYSA-N
MW314.45 g/mol
LogP2.88
Rot. Bonds3

About 1-[2-(2,6-dimethylphenyl)sulfinylphenyl]piperazine

1-[2-(2,6-dimethylphenyl)sulfinylphenyl]piperazine (PubChem CID 151229495) has the molecular formula C18H22N2OS and a molecular weight of 314.45 g/mol. Its IUPAC name is 1-[2-(2,6-dimethylphenyl)sulfinylphenyl]piperazine.

Molecular Properties

Compound Name1-[2-(2,6-dimethylphenyl)sulfinylphenyl]piperazine
PubChem CID151229495
Molecular FormulaC18H22N2OS
Molecular Weight314.45 g/mol
Exact Mass314.15
IUPAC Name1-[2-(2,6-dimethylphenyl)sulfinylphenyl]piperazine
SMILESCc1cccc(C)c1S(=O)c1ccccc1N1CCNCC1
InChIInChI=1S/C18H22N2OS/c1-14-6-5-7-15(2)18(14)22(21)17-9-4-3-8-16(17)20-12-10-19-11-13-20/h3-9,19H,10-13H2,1-2H3
InChIKeyNNZDNYDZKKHYFE-UHFFFAOYSA-N
XLogP2.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,6-dimethylphenyl)sulfinylphenyl]piperazine?
The IUPAC name of 1-[2-(2,6-dimethylphenyl)sulfinylphenyl]piperazine (CID 151229495) is 1-[2-(2,6-dimethylphenyl)sulfinylphenyl]piperazine.
What is the SMILES notation for 1-[2-(2,6-dimethylphenyl)sulfinylphenyl]piperazine?
The canonical SMILES for 1-[2-(2,6-dimethylphenyl)sulfinylphenyl]piperazine is Cc1cccc(C)c1S(=O)c1ccccc1N1CCNCC1.
What is the InChIKey of 1-[2-(2,6-dimethylphenyl)sulfinylphenyl]piperazine?
The InChIKey is NNZDNYDZKKHYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2OS/c1-14-6-5-7-15(2)18(14)22(21)17-9-4-3-8-16(17)20-12-10-19-11-13-20/h3-9,19H,10-13H2,1-2H3.
What are the key properties of 1-[2-(2,6-dimethylphenyl)sulfinylphenyl]piperazine?
1-[2-(2,6-dimethylphenyl)sulfinylphenyl]piperazine has a molecular weight of 314.45 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,6-dimethylphenyl)sulfinylphenyl]piperazine is sourced from PubChem (CID 151229495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).