1-(2-methylsulfonylethyl)-4-phenylpiperazine

C13H20N2O2S — CID 70946596

IUPAC1-(2-methylsulfonylethyl)-4-phenylpiperazine
SMILESCS(=O)(=O)CCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C13H20N2O2S/c1-18(16,17)12-11-14-7-9-15(10-8-14)13-5-3-2-4-6-13/h2-6H,7-12H2,1H3
InChIKeyJZRHVIQMMNUCTN-UHFFFAOYSA-N
MW268.38 g/mol
LogP0.85
Rot. Bonds4

About 1-(2-methylsulfonylethyl)-4-phenylpiperazine

1-(2-methylsulfonylethyl)-4-phenylpiperazine (PubChem CID 70946596) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 1-(2-methylsulfonylethyl)-4-phenylpiperazine.

Molecular Properties

Compound Name1-(2-methylsulfonylethyl)-4-phenylpiperazine
PubChem CID70946596
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name1-(2-methylsulfonylethyl)-4-phenylpiperazine
SMILESCS(=O)(=O)CCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C13H20N2O2S/c1-18(16,17)12-11-14-7-9-15(10-8-14)13-5-3-2-4-6-13/h2-6H,7-12H2,1H3
InChIKeyJZRHVIQMMNUCTN-UHFFFAOYSA-N
XLogP0.85
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-4-(2-methylsulfonylethyl)piperazine
CID 78787270
1-(2-methylsulfonylethyl)-4-(2-phenoxyethyl)piperazine
CID 78792856
1-(2-methylsulfonylethyl)-4-[(1-phenylpyrazol-3-yl)methyl]piperazine
CID 75431738
1-[4-(2-methylsulfonylethyl)piperazin-1-yl]-2,2-diphenylethanone
CID 95753443
1-[(4-methylsulfonylphenyl)methyl]-4-phenylpiperazine
CID 141118596
2-ethoxy-4-[4-(2-methylsulfonylethyl)piperazin-1-yl]aniline
CID 66649743
1-benzyl-4-(3-methylsulfonylpropyl)piperazine
CID 142978183
3-(4-methylpiperazin-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 110853147
1-(4-methylpiperazin-1-yl)-3-(4-phenylpiperazin-1-yl)propan-1-one
CID 109017216
5-[4-(2-methylsulfonylethyl)piperazin-1-yl]-2-nitrophenol
CID 71165211
4-[2-(4-phenylpiperazin-1-yl)ethyl]thiomorpholine
CID 91828439
2-(2-methylsulfonylethyl)-3,4-dihydro-1H-isoquinoline
CID 141217654

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfonylethyl)-4-phenylpiperazine?
The IUPAC name of 1-(2-methylsulfonylethyl)-4-phenylpiperazine (CID 70946596) is 1-(2-methylsulfonylethyl)-4-phenylpiperazine.
What is the SMILES notation for 1-(2-methylsulfonylethyl)-4-phenylpiperazine?
The canonical SMILES for 1-(2-methylsulfonylethyl)-4-phenylpiperazine is CS(=O)(=O)CCN1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-(2-methylsulfonylethyl)-4-phenylpiperazine?
The InChIKey is JZRHVIQMMNUCTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-18(16,17)12-11-14-7-9-15(10-8-14)13-5-3-2-4-6-13/h2-6H,7-12H2,1H3.
What are the key properties of 1-(2-methylsulfonylethyl)-4-phenylpiperazine?
1-(2-methylsulfonylethyl)-4-phenylpiperazine has a molecular weight of 268.38 g/mol, XLogP of 0.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfonylethyl)-4-phenylpiperazine is sourced from PubChem (CID 70946596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).