1-[2-(2,4-dimethylphenyl)sulfinylethyl]piperazine

C14H22N2OS — CID 112741724

IUPAC1-[2-(2,4-dimethylphenyl)sulfinylethyl]piperazine
SMILESCc1ccc(S(=O)CCN2CCNCC2)c(C)c1
InChIInChI=1S/C14H22N2OS/c1-12-3-4-14(13(2)11-12)18(17)10-9-16-7-5-15-6-8-16/h3-4,11,15H,5-10H2,1-2H3
InChIKeyYDCWGFWYKFGVOU-UHFFFAOYSA-N
MW266.41 g/mol
LogP1.32
Rot. Bonds4

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

1-[2-(2,4-dimethylphenyl)sulfinylethyl]piperazine (PubChem CID 112741724) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 1-[2-(2,4-dimethylphenyl)sulfinylethyl]piperazine.

Molecular Properties

Compound Name1-[2-(2,4-dimethylphenyl)sulfinylethyl]piperazine
PubChem CID112741724
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name1-[2-(2,4-dimethylphenyl)sulfinylethyl]piperazine
SMILESCc1ccc(S(=O)CCN2CCNCC2)c(C)c1
InChIInChI=1S/C14H22N2OS/c1-12-3-4-14(13(2)11-12)18(17)10-9-16-7-5-15-6-8-16/h3-4,11,15H,5-10H2,1-2H3
InChIKeyYDCWGFWYKFGVOU-UHFFFAOYSA-N
XLogP1.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dimethylphenyl)-3-piperazin-1-ylpropan-1-one
CID 82064821
4-methyl-2-[2-(4-methylpiperazin-1-yl)ethylsulfinyl]aniline
CID 82891689
N-(2,4-dimethylphenyl)-3-piperazin-1-ylpropanamide
CID 28807910
1-(2,4-dimethylphenyl)-3-piperazin-1-ylpropan-1-ol
CID 82074620
1-[2-[(2,4-dimethylphenyl)methoxy]ethyl]piperazine
CID 96663407
1-[2-(2,4,6-trimethylphenyl)ethyl]piperazine
CID 15391878
1-[(2,4-dimethylphenyl)sulfonylmethyl]piperazine
CID 117036957
1-[(2-ethyl-5-methylphenyl)methyl]piperazine
CID 117311481
1-(4-methylphenyl)-3-piperazin-1-ylpropan-1-one
CID 82064813
2-[2-(2,4-dimethylphenyl)sulfinylethyl]-1,3-dioxane
CID 66472570
2-(2,5-dimethylphenyl)-N-(2-piperazin-1-ylethyl)acetamide
CID 62537843
1-[3-(2,5-dimethylphenyl)sulfanylpropyl]piperazine
CID 117034526

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dimethylphenyl)sulfinylethyl]piperazine?
The IUPAC name of 1-[2-(2,4-dimethylphenyl)sulfinylethyl]piperazine (CID 112741724) is 1-[2-(2,4-dimethylphenyl)sulfinylethyl]piperazine.
What is the SMILES notation for 1-[2-(2,4-dimethylphenyl)sulfinylethyl]piperazine?
The canonical SMILES for 1-[2-(2,4-dimethylphenyl)sulfinylethyl]piperazine is Cc1ccc(S(=O)CCN2CCNCC2)c(C)c1.
What is the InChIKey of 1-[2-(2,4-dimethylphenyl)sulfinylethyl]piperazine?
The InChIKey is YDCWGFWYKFGVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-12-3-4-14(13(2)11-12)18(17)10-9-16-7-5-15-6-8-16/h3-4,11,15H,5-10H2,1-2H3.
What are the key properties of 1-[2-(2,4-dimethylphenyl)sulfinylethyl]piperazine?
1-[2-(2,4-dimethylphenyl)sulfinylethyl]piperazine has a molecular weight of 266.41 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dimethylphenyl)sulfinylethyl]piperazine is sourced from PubChem (CID 112741724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).