2-benzyl-1-(2-methylsulfonylethyl)piperazine

C14H22N2O2S — CID 64846831

IUPAC2-benzyl-1-(2-methylsulfonylethyl)piperazine
SMILESCS(=O)(=O)CCN1CCNCC1Cc1ccccc1
InChIInChI=1S/C14H22N2O2S/c1-19(17,18)10-9-16-8-7-15-12-14(16)11-13-5-3-2-4-6-13/h2-6,14-15H,7-12H2,1H3
InChIKeyLDGISGGJUPADEQ-UHFFFAOYSA-N
MW282.41 g/mol
LogP0.55
Rot. Bonds5

About 2-benzyl-1-(2-methylsulfonylethyl)piperazine

2-benzyl-1-(2-methylsulfonylethyl)piperazine (PubChem CID 64846831) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-benzyl-1-(2-methylsulfonylethyl)piperazine.

Molecular Properties

Compound Name2-benzyl-1-(2-methylsulfonylethyl)piperazine
PubChem CID64846831
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name2-benzyl-1-(2-methylsulfonylethyl)piperazine
SMILESCS(=O)(=O)CCN1CCNCC1Cc1ccccc1
InChIInChI=1S/C14H22N2O2S/c1-19(17,18)10-9-16-8-7-15-12-14(16)11-13-5-3-2-4-6-13/h2-6,14-15H,7-12H2,1H3
InChIKeyLDGISGGJUPADEQ-UHFFFAOYSA-N
XLogP0.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-benzyl-1-methylsulfonylpiperazine
CID 94990746
2-benzyl-1-(3-fluoropropyl)piperazine
CID 81114655
2-benzyl-1-(2-ethoxyethyl)piperazine
CID 64845833
4-[2-(2-benzylpiperazin-1-yl)ethyl]morpholine
CID 82250577
2-benzyl-1-(2-phenylethyl)-1,4-diazepane
CID 82251349
4-[(2-benzylpiperazin-1-yl)methyl]benzoic acid
CID 53414062
4-[[(2S)-2-benzylpiperazin-1-yl]methyl]benzoic acid
CID 45072762
1,5-bis[2-[(4-phenylphenyl)methyl]piperazin-1-yl]pentan-3-one
CID 174487424
2-benzyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine
CID 64846826
2-methyl-1-(2-methylsulfonylethyl)piperazine
CID 62674203
2-benzyl-1-[(E)-3-chloroprop-2-enyl]piperazine
CID 107901402
(2S)-2-benzylpiperazine-1-carboxylic acid
CID 141413078

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-(2-methylsulfonylethyl)piperazine?
The IUPAC name of 2-benzyl-1-(2-methylsulfonylethyl)piperazine (CID 64846831) is 2-benzyl-1-(2-methylsulfonylethyl)piperazine.
What is the SMILES notation for 2-benzyl-1-(2-methylsulfonylethyl)piperazine?
The canonical SMILES for 2-benzyl-1-(2-methylsulfonylethyl)piperazine is CS(=O)(=O)CCN1CCNCC1Cc1ccccc1.
What is the InChIKey of 2-benzyl-1-(2-methylsulfonylethyl)piperazine?
The InChIKey is LDGISGGJUPADEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-19(17,18)10-9-16-8-7-15-12-14(16)11-13-5-3-2-4-6-13/h2-6,14-15H,7-12H2,1H3.
What are the key properties of 2-benzyl-1-(2-methylsulfonylethyl)piperazine?
2-benzyl-1-(2-methylsulfonylethyl)piperazine has a molecular weight of 282.41 g/mol, XLogP of 0.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-(2-methylsulfonylethyl)piperazine is sourced from PubChem (CID 64846831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).