1-(2-methylsulfonylethyl)-4-(2-phenoxyethyl)piperazine

C15H24N2O3S — CID 78792856

IUPAC1-(2-methylsulfonylethyl)-4-(2-phenoxyethyl)piperazine
SMILESCS(=O)(=O)CCN1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C15H24N2O3S/c1-21(18,19)14-12-17-9-7-16(8-10-17)11-13-20-15-5-3-2-4-6-15/h2-6H,7-14H2,1H3
InChIKeyLBDLDBWOQLINSG-UHFFFAOYSA-N
MW312.43 g/mol
LogP0.73
Rot. Bonds7

About 1-(2-methylsulfonylethyl)-4-(2-phenoxyethyl)piperazine

1-(2-methylsulfonylethyl)-4-(2-phenoxyethyl)piperazine (PubChem CID 78792856) has the molecular formula C15H24N2O3S and a molecular weight of 312.43 g/mol. Its IUPAC name is 1-(2-methylsulfonylethyl)-4-(2-phenoxyethyl)piperazine.

Molecular Properties

Compound Name1-(2-methylsulfonylethyl)-4-(2-phenoxyethyl)piperazine
PubChem CID78792856
Molecular FormulaC15H24N2O3S
Molecular Weight312.43 g/mol
Exact Mass312.15
IUPAC Name1-(2-methylsulfonylethyl)-4-(2-phenoxyethyl)piperazine
SMILESCS(=O)(=O)CCN1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C15H24N2O3S/c1-21(18,19)14-12-17-9-7-16(8-10-17)11-13-20-15-5-3-2-4-6-15/h2-6H,7-14H2,1H3
InChIKeyLBDLDBWOQLINSG-UHFFFAOYSA-N
XLogP0.73
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.43
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,4-bis(2-phenoxyethyl)-1,4-diazepane
CID 58861609
1-[2-(4-chlorophenyl)sulfonylethyl]-4-(2-phenoxyethyl)piperazine
CID 39746922
1-benzyl-4-(2-methylsulfonylethyl)piperazine
CID 78787270
1-(2-methylsulfonylethyl)-4-phenylpiperazine
CID 70946596
1-(2-bromoethyl)-4-(2-phenoxyethyl)piperazine
CID 80674242
[4-(2-methylsulfonylethyl)piperazin-1-yl]-[2-(phenoxymethyl)phenyl]methanone
CID 56533667
1-(2-phenoxyethyl)piperidin-4-one
CID 70278679
1-methyl-4-(5-phenoxypentyl)piperazine
CID 10515643
4-[4-(2-phenoxyethyl)piperazin-1-yl]butanoic acid
CID 119134542
N,N-dimethyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 78792872
1-(2-chloroethyl)-4-(2-phenoxyethyl)-1,4-diazepane
CID 63387533
phenyl 2-[4-(2-phenoxyethyl)piperazin-1-yl]acetate
CID 59382148

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfonylethyl)-4-(2-phenoxyethyl)piperazine?
The IUPAC name of 1-(2-methylsulfonylethyl)-4-(2-phenoxyethyl)piperazine (CID 78792856) is 1-(2-methylsulfonylethyl)-4-(2-phenoxyethyl)piperazine.
What is the SMILES notation for 1-(2-methylsulfonylethyl)-4-(2-phenoxyethyl)piperazine?
The canonical SMILES for 1-(2-methylsulfonylethyl)-4-(2-phenoxyethyl)piperazine is CS(=O)(=O)CCN1CCN(CCOc2ccccc2)CC1.
What is the InChIKey of 1-(2-methylsulfonylethyl)-4-(2-phenoxyethyl)piperazine?
The InChIKey is LBDLDBWOQLINSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-21(18,19)14-12-17-9-7-16(8-10-17)11-13-20-15-5-3-2-4-6-15/h2-6H,7-14H2,1H3.
What are the key properties of 1-(2-methylsulfonylethyl)-4-(2-phenoxyethyl)piperazine?
1-(2-methylsulfonylethyl)-4-(2-phenoxyethyl)piperazine has a molecular weight of 312.43 g/mol, XLogP of 0.73, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfonylethyl)-4-(2-phenoxyethyl)piperazine is sourced from PubChem (CID 78792856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).