(4-ethylphenyl)-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone

C16H24N2O3S — CID 94063036

IUPAC(4-ethylphenyl)-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
SMILESCCc1ccc(C(=O)N2CCN(CCS(C)(=O)=O)CC2)cc1
InChIInChI=1S/C16H24N2O3S/c1-3-14-4-6-15(7-5-14)16(19)18-10-8-17(9-11-18)12-13-22(2,20)21/h4-7H,3,8-13H2,1-2H3
InChIKeyFBYARENDMYLOTF-UHFFFAOYSA-N
MW324.45 g/mol
LogP1.05
Rot. Bonds5

About (4-ethylphenyl)-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone

(4-ethylphenyl)-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone (PubChem CID 94063036) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is (4-ethylphenyl)-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-ethylphenyl)-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
PubChem CID94063036
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name(4-ethylphenyl)-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
SMILESCCc1ccc(C(=O)N2CCN(CCS(C)(=O)=O)CC2)cc1
InChIInChI=1S/C16H24N2O3S/c1-3-14-4-6-15(7-5-14)16(19)18-10-8-17(9-11-18)12-13-22(2,20)21/h4-7H,3,8-13H2,1-2H3
InChIKeyFBYARENDMYLOTF-UHFFFAOYSA-N
XLogP1.05
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methylphenyl)-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
CID 94448657
(4-butylphenyl)-[4-(2-methylsulfonylethyl)-1,4-diazepan-1-yl]methanone
CID 134713853
N-ethyl-4-[4-(2-methylsulfonylethyl)piperazine-1-carbonyl]benzenesulfonamide
CID 56534024
[4-(methylsulfonylmethyl)phenyl]-(4-propylpiperazin-1-yl)methanone
CID 112790428
(3-bromophenyl)-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
CID 95753438
furan-2-yl-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
CID 94897133
[4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
CID 56572164
(4-methylpiperazin-1-yl)-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methanone
CID 43924483
4-ethyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide
CID 110602635
(4-ethylphenyl)-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methanone
CID 71571378
[2-(ethylamino)pyrimidin-5-yl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
CID 72938893
(3-methyl-4-nitrophenyl)-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
CID 95753469

Frequently Asked Questions

What is the IUPAC name of (4-ethylphenyl)-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone?
The IUPAC name of (4-ethylphenyl)-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone (CID 94063036) is (4-ethylphenyl)-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-ethylphenyl)-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-ethylphenyl)-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone is CCc1ccc(C(=O)N2CCN(CCS(C)(=O)=O)CC2)cc1.
What is the InChIKey of (4-ethylphenyl)-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone?
The InChIKey is FBYARENDMYLOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-3-14-4-6-15(7-5-14)16(19)18-10-8-17(9-11-18)12-13-22(2,20)21/h4-7H,3,8-13H2,1-2H3.
What are the key properties of (4-ethylphenyl)-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone?
(4-ethylphenyl)-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone has a molecular weight of 324.45 g/mol, XLogP of 1.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylphenyl)-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 94063036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).