1-[2-(5-methyl-2-methylsulfonylphenyl)ethyl]piperazine

C14H22N2O2S — CID 82264703

IUPAC1-[2-(5-methyl-2-methylsulfonylphenyl)ethyl]piperazine
SMILESCc1ccc(S(C)(=O)=O)c(CCN2CCNCC2)c1
InChIInChI=1S/C14H22N2O2S/c1-12-3-4-14(19(2,17)18)13(11-12)5-8-16-9-6-15-7-10-16/h3-4,11,15H,5-10H2,1-2H3
InChIKeyDRLLVWMLKKKLHP-UHFFFAOYSA-N
MW282.41 g/mol
LogP0.85
Rot. Bonds4

About 1-[2-(5-methyl-2-methylsulfonylphenyl)ethyl]piperazine

1-[2-(5-methyl-2-methylsulfonylphenyl)ethyl]piperazine (PubChem CID 82264703) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 1-[2-(5-methyl-2-methylsulfonylphenyl)ethyl]piperazine.

Molecular Properties

Compound Name1-[2-(5-methyl-2-methylsulfonylphenyl)ethyl]piperazine
PubChem CID82264703
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name1-[2-(5-methyl-2-methylsulfonylphenyl)ethyl]piperazine
SMILESCc1ccc(S(C)(=O)=O)c(CCN2CCNCC2)c1
InChIInChI=1S/C14H22N2O2S/c1-12-3-4-14(19(2,17)18)13(11-12)5-8-16-9-6-15-7-10-16/h3-4,11,15H,5-10H2,1-2H3
InChIKeyDRLLVWMLKKKLHP-UHFFFAOYSA-N
XLogP0.85
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-3-methylsulfonyl-6-(2-piperazin-1-ylethyl)phenol
CID 117487132
1-[2-(2-methoxy-5-methylphenyl)ethyl]piperazine
CID 82083196
1-[2-(2,3,5-trimethylphenyl)ethyl]piperazine
CID 117337037
1-[(2,4-dimethylphenyl)sulfonylmethyl]piperazine
CID 117036957
1-[(2-ethyl-5-methylphenyl)methyl]piperazine
CID 117311481
1-[2-(2-fluoro-3,5-dimethylphenyl)ethyl]piperazine
CID 84798248
1-[2-[2-(cyclobutylmethoxy)-5-methylphenyl]ethyl]piperazine
CID 117466165
1-[2-(2-ethyl-5-fluorophenyl)ethyl]piperazine
CID 84798240
1-ethyl-5-methyl-3-(2-piperazin-1-ylethyl)indole
CID 83949052
1-[2-(3-methylphenyl)ethyl]piperazine;dihydrochloride
CID 137346950
1-[2-(4-methylsulfonyl-1,3-benzodioxol-5-yl)ethyl]piperazine
CID 117497687
5-methyl-3-(2-piperazin-1-ylethyl)-1-propan-2-ylindole
CID 83949058

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-methyl-2-methylsulfonylphenyl)ethyl]piperazine?
The IUPAC name of 1-[2-(5-methyl-2-methylsulfonylphenyl)ethyl]piperazine (CID 82264703) is 1-[2-(5-methyl-2-methylsulfonylphenyl)ethyl]piperazine.
What is the SMILES notation for 1-[2-(5-methyl-2-methylsulfonylphenyl)ethyl]piperazine?
The canonical SMILES for 1-[2-(5-methyl-2-methylsulfonylphenyl)ethyl]piperazine is Cc1ccc(S(C)(=O)=O)c(CCN2CCNCC2)c1.
What is the InChIKey of 1-[2-(5-methyl-2-methylsulfonylphenyl)ethyl]piperazine?
The InChIKey is DRLLVWMLKKKLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-12-3-4-14(19(2,17)18)13(11-12)5-8-16-9-6-15-7-10-16/h3-4,11,15H,5-10H2,1-2H3.
What are the key properties of 1-[2-(5-methyl-2-methylsulfonylphenyl)ethyl]piperazine?
1-[2-(5-methyl-2-methylsulfonylphenyl)ethyl]piperazine has a molecular weight of 282.41 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-methyl-2-methylsulfonylphenyl)ethyl]piperazine is sourced from PubChem (CID 82264703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).