1-[(3-ethylphenyl)methyl]-4-methylsulfonylpiperazine

C14H22N2O2S — CID 118549589

IUPAC1-[(3-ethylphenyl)methyl]-4-methylsulfonylpiperazine
SMILESCCc1cccc(CN2CCN(S(C)(=O)=O)CC2)c1
InChIInChI=1S/C14H22N2O2S/c1-3-13-5-4-6-14(11-13)12-15-7-9-16(10-8-15)19(2,17)18/h4-6,11H,3,7-10,12H2,1-2H3
InChIKeyBFQYKFKGDWMGAD-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.33
Rot. Bonds4

About 1-[(3-ethylphenyl)methyl]-4-methylsulfonylpiperazine

1-[(3-ethylphenyl)methyl]-4-methylsulfonylpiperazine (PubChem CID 118549589) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 1-[(3-ethylphenyl)methyl]-4-methylsulfonylpiperazine.

Molecular Properties

Compound Name1-[(3-ethylphenyl)methyl]-4-methylsulfonylpiperazine
PubChem CID118549589
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name1-[(3-ethylphenyl)methyl]-4-methylsulfonylpiperazine
SMILESCCc1cccc(CN2CCN(S(C)(=O)=O)CC2)c1
InChIInChI=1S/C14H22N2O2S/c1-3-13-5-4-6-14(11-13)12-15-7-9-16(10-8-15)19(2,17)18/h4-6,11H,3,7-10,12H2,1-2H3
InChIKeyBFQYKFKGDWMGAD-UHFFFAOYSA-N
XLogP1.33
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-ethylphenyl)methyl]-4-propan-2-ylsulfonylpiperazine
CID 123477126
1-[(3,4-dichlorophenyl)methyl]-4-methylsulfonylpiperazine
CID 4767728
N-[3-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-amine
CID 69225261
1-(4-ethylphenyl)sulfonyl-4-[(3-methylphenyl)methyl]piperazine
CID 4994124
1-[(3-chlorophenyl)methyl]-4-(4-ethylphenyl)sulfonylpiperazine
CID 17378936
difluoro-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]borane
CID 91886713
N-(2,4-dimethylpentan-3-yl)-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43921351
1-[(4-ethylphenyl)methyl]-4-ethylsulfonylpiperazine
CID 770584
1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-4-methylsulfonylpiperazine
CID 1148260
1-[(4-ethoxyphenyl)methyl]-4-methylsulfonylpiperazine
CID 2881274
1-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-4-methylsulfonyl-1,4-diazepane
CID 135094833
1-[(2-methoxy-4-pyridinyl)methyl]-4-methylsulfonylpiperazine
CID 171690317

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethylphenyl)methyl]-4-methylsulfonylpiperazine?
The IUPAC name of 1-[(3-ethylphenyl)methyl]-4-methylsulfonylpiperazine (CID 118549589) is 1-[(3-ethylphenyl)methyl]-4-methylsulfonylpiperazine.
What is the SMILES notation for 1-[(3-ethylphenyl)methyl]-4-methylsulfonylpiperazine?
The canonical SMILES for 1-[(3-ethylphenyl)methyl]-4-methylsulfonylpiperazine is CCc1cccc(CN2CCN(S(C)(=O)=O)CC2)c1.
What is the InChIKey of 1-[(3-ethylphenyl)methyl]-4-methylsulfonylpiperazine?
The InChIKey is BFQYKFKGDWMGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-3-13-5-4-6-14(11-13)12-15-7-9-16(10-8-15)19(2,17)18/h4-6,11H,3,7-10,12H2,1-2H3.
What are the key properties of 1-[(3-ethylphenyl)methyl]-4-methylsulfonylpiperazine?
1-[(3-ethylphenyl)methyl]-4-methylsulfonylpiperazine has a molecular weight of 282.41 g/mol, XLogP of 1.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethylphenyl)methyl]-4-methylsulfonylpiperazine is sourced from PubChem (CID 118549589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).