1-(2-methoxyethylsulfonyl)-4-[3-(2-methoxyphenyl)propyl]piperazine

C17H28N2O4S — CID 110356569

IUPAC1-(2-methoxyethylsulfonyl)-4-[3-(2-methoxyphenyl)propyl]piperazine
SMILESCOCCS(=O)(=O)N1CCN(CCCc2ccccc2OC)CC1
InChIInChI=1S/C17H28N2O4S/c1-22-14-15-24(20,21)19-12-10-18(11-13-19)9-5-7-16-6-3-4-8-17(16)23-2/h3-4,6,8H,5,7,9-15H2,1-2H3
InChIKeyFKTOKYZOWAIFDL-UHFFFAOYSA-N
MW356.49 g/mol
LogP1.22
Rot. Bonds9

About 1-(2-methoxyethylsulfonyl)-4-[3-(2-methoxyphenyl)propyl]piperazine

1-(2-methoxyethylsulfonyl)-4-[3-(2-methoxyphenyl)propyl]piperazine (PubChem CID 110356569) has the molecular formula C17H28N2O4S and a molecular weight of 356.49 g/mol. Its IUPAC name is 1-(2-methoxyethylsulfonyl)-4-[3-(2-methoxyphenyl)propyl]piperazine.

Molecular Properties

Compound Name1-(2-methoxyethylsulfonyl)-4-[3-(2-methoxyphenyl)propyl]piperazine
PubChem CID110356569
Molecular FormulaC17H28N2O4S
Molecular Weight356.49 g/mol
Exact Mass356.18
IUPAC Name1-(2-methoxyethylsulfonyl)-4-[3-(2-methoxyphenyl)propyl]piperazine
SMILESCOCCS(=O)(=O)N1CCN(CCCc2ccccc2OC)CC1
InChIInChI=1S/C17H28N2O4S/c1-22-14-15-24(20,21)19-12-10-18(11-13-19)9-5-7-16-6-3-4-8-17(16)23-2/h3-4,6,8H,5,7,9-15H2,1-2H3
InChIKeyFKTOKYZOWAIFDL-UHFFFAOYSA-N
XLogP1.22
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopentylsulfonyl-4-[3-(2-methoxyphenyl)propyl]piperazine
CID 110356564
1-[3-(2-methoxyphenyl)propyl]-4-thiophen-2-ylsulfonylpiperazine
CID 110358219
1-cyclopentylsulfonyl-4-[2-(2-methoxyphenyl)ethyl]piperazine
CID 110411428
1-(2-methoxyethylsulfonyl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 110335435
1-[3-(2-chlorophenyl)propyl]-4-propylsulfonylpiperazine
CID 110413794
4-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]butan-1-amine
CID 55010068
5-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]pentan-1-amine
CID 55010115
N,N-diethyl-4-[3-(2-methoxyphenyl)propyl]piperazine-1-carboxamide
CID 110358210
1-[3-(2-methoxyphenyl)propyl]-4-[2-[(4-phenoxyphenyl)methoxy]ethyl]piperazine;dihydrochloride
CID 67898890
1-[2-(2-methoxyphenyl)ethyl]-4-(2-phenylethyl)piperazine;dihydrochloride
CID 155541951
N-[2-(2-methoxyphenyl)ethyl]-3-(4-methylpiperazin-1-yl)sulfonylpropanamide
CID 110343167
1-pentyl-4-(2-phenylethylsulfonyl)piperazine
CID 113075151

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethylsulfonyl)-4-[3-(2-methoxyphenyl)propyl]piperazine?
The IUPAC name of 1-(2-methoxyethylsulfonyl)-4-[3-(2-methoxyphenyl)propyl]piperazine (CID 110356569) is 1-(2-methoxyethylsulfonyl)-4-[3-(2-methoxyphenyl)propyl]piperazine.
What is the SMILES notation for 1-(2-methoxyethylsulfonyl)-4-[3-(2-methoxyphenyl)propyl]piperazine?
The canonical SMILES for 1-(2-methoxyethylsulfonyl)-4-[3-(2-methoxyphenyl)propyl]piperazine is COCCS(=O)(=O)N1CCN(CCCc2ccccc2OC)CC1.
What is the InChIKey of 1-(2-methoxyethylsulfonyl)-4-[3-(2-methoxyphenyl)propyl]piperazine?
The InChIKey is FKTOKYZOWAIFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O4S/c1-22-14-15-24(20,21)19-12-10-18(11-13-19)9-5-7-16-6-3-4-8-17(16)23-2/h3-4,6,8H,5,7,9-15H2,1-2H3.
What are the key properties of 1-(2-methoxyethylsulfonyl)-4-[3-(2-methoxyphenyl)propyl]piperazine?
1-(2-methoxyethylsulfonyl)-4-[3-(2-methoxyphenyl)propyl]piperazine has a molecular weight of 356.49 g/mol, XLogP of 1.22, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethylsulfonyl)-4-[3-(2-methoxyphenyl)propyl]piperazine is sourced from PubChem (CID 110356569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).