2-(2-methoxyphenyl)-1-(oxolan-3-ylmethylsulfonyl)piperazine

C16H24N2O4S — CID 120763133

IUPAC2-(2-methoxyphenyl)-1-(oxolan-3-ylmethylsulfonyl)piperazine
SMILESCOc1ccccc1C1CNCCN1S(=O)(=O)CC1CCOC1
InChIInChI=1S/C16H24N2O4S/c1-21-16-5-3-2-4-14(16)15-10-17-7-8-18(15)23(19,20)12-13-6-9-22-11-13/h2-5,13,15,17H,6-12H2,1H3
InChIKeyOOZTUSPHHOYHQM-UHFFFAOYSA-N
MW340.44 g/mol
LogP1.01
Rot. Bonds5

About 2-(2-methoxyphenyl)-1-(oxolan-3-ylmethylsulfonyl)piperazine

2-(2-methoxyphenyl)-1-(oxolan-3-ylmethylsulfonyl)piperazine (PubChem CID 120763133) has the molecular formula C16H24N2O4S and a molecular weight of 340.44 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-1-(oxolan-3-ylmethylsulfonyl)piperazine.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-1-(oxolan-3-ylmethylsulfonyl)piperazine
PubChem CID120763133
Molecular FormulaC16H24N2O4S
Molecular Weight340.44 g/mol
Exact Mass340.15
IUPAC Name2-(2-methoxyphenyl)-1-(oxolan-3-ylmethylsulfonyl)piperazine
SMILESCOc1ccccc1C1CNCCN1S(=O)(=O)CC1CCOC1
InChIInChI=1S/C16H24N2O4S/c1-21-16-5-3-2-4-14(16)15-10-17-7-8-18(15)23(19,20)12-13-6-9-22-11-13/h2-5,13,15,17H,6-12H2,1H3
InChIKeyOOZTUSPHHOYHQM-UHFFFAOYSA-N
XLogP1.01
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2-methoxyphenyl)-1-(oxolan-3-ylmethylsulfonyl)piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(cyclohexylmethylsulfonyl)-2-(2-methoxyphenyl)piperazine
CID 120763181
2-(2-methoxyphenyl)-1-(oxan-3-ylsulfonyl)piperazine;hydrochloride
CID 120876675
2-(2-methoxyphenyl)-1-(oxan-4-ylmethyl)piperazine
CID 120753297
1-[2-(2-methoxyphenyl)piperazin-1-yl]-3-(oxan-4-yl)propan-1-one
CID 120734905
N,N-diethyl-2-(2-methoxyphenyl)piperazine-1-sulfonamide;hydrochloride
CID 120763279
2-(2-methoxyphenyl)-1-piperidin-1-ylsulfonylpiperazine
CID 120763163
2-(2-methoxyphenyl)-N-methyl-N-propan-2-ylpiperazine-1-sulfonamide
CID 120763359
4-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonylthiane 1,1-dioxide;hydrochloride
CID 120876689
2-(2-chlorophenyl)-1-(cyclopropylmethylsulfonyl)piperazine;hydrochloride
CID 120765152
2-(2-methoxyphenyl)-1-(2-methylphenyl)sulfonylpiperazine;hydrochloride
CID 120763471
2-(2-methoxyphenyl)-1-(4-methoxyphenyl)sulfonylpiperazine;hydrochloride
CID 120763094
4-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-2,2-dimethylmorpholine
CID 120763328

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-1-(oxolan-3-ylmethylsulfonyl)piperazine?
The IUPAC name of 2-(2-methoxyphenyl)-1-(oxolan-3-ylmethylsulfonyl)piperazine (CID 120763133) is 2-(2-methoxyphenyl)-1-(oxolan-3-ylmethylsulfonyl)piperazine.
What is the SMILES notation for 2-(2-methoxyphenyl)-1-(oxolan-3-ylmethylsulfonyl)piperazine?
The canonical SMILES for 2-(2-methoxyphenyl)-1-(oxolan-3-ylmethylsulfonyl)piperazine is COc1ccccc1C1CNCCN1S(=O)(=O)CC1CCOC1.
What is the InChIKey of 2-(2-methoxyphenyl)-1-(oxolan-3-ylmethylsulfonyl)piperazine?
The InChIKey is OOZTUSPHHOYHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-21-16-5-3-2-4-14(16)15-10-17-7-8-18(15)23(19,20)12-13-6-9-22-11-13/h2-5,13,15,17H,6-12H2,1H3.
What are the key properties of 2-(2-methoxyphenyl)-1-(oxolan-3-ylmethylsulfonyl)piperazine?
2-(2-methoxyphenyl)-1-(oxolan-3-ylmethylsulfonyl)piperazine has a molecular weight of 340.44 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-1-(oxolan-3-ylmethylsulfonyl)piperazine is sourced from PubChem (CID 120763133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).