4-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonylthiane 1,1-dioxide;hydrochloride

C16H25ClN2O5S2 — CID 120876689

IUPAC4-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonylthiane 1,1-dioxide;hydrochloride
SMILESCOc1ccccc1C1CNCCN1S(=O)(=O)C1CCS(=O)(=O)CC1.Cl
InChIInChI=1S/C16H24N2O5S2.ClH/c1-23-16-5-3-2-4-14(16)15-12-17-8-9-18(15)25(21,22)13-6-10-24(19,20)11-7-13;/h2-5,13,15,17H,6-12H2,1H3;1H
InChIKeyAXGHMRGNJUXQIA-UHFFFAOYSA-N
MW424.97 g/mol
LogP0.97
Rot. Bonds4

About 4-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonylthiane 1,1-dioxide;hydrochloride

4-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonylthiane 1,1-dioxide;hydrochloride (PubChem CID 120876689) has the molecular formula C16H25ClN2O5S2 and a molecular weight of 424.97 g/mol. Its IUPAC name is 4-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonylthiane 1,1-dioxide;hydrochloride.

Molecular Properties

Compound Name4-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonylthiane 1,1-dioxide;hydrochloride
PubChem CID120876689
Molecular FormulaC16H25ClN2O5S2
Molecular Weight424.97 g/mol
Exact Mass424.09
IUPAC Name4-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonylthiane 1,1-dioxide;hydrochloride
SMILESCOc1ccccc1C1CNCCN1S(=O)(=O)C1CCS(=O)(=O)CC1.Cl
InChIInChI=1S/C16H24N2O5S2.ClH/c1-23-16-5-3-2-4-14(16)15-12-17-8-9-18(15)25(21,22)13-6-10-24(19,20)11-7-13;/h2-5,13,15,17H,6-12H2,1H3;1H
InChIKeyAXGHMRGNJUXQIA-UHFFFAOYSA-N
XLogP0.97
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.97
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonylthiane 1,1-dioxide;hydrochloride 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

2-(2-methoxyphenyl)-1-(oxan-3-ylsulfonyl)piperazine;hydrochloride
CID 120876675
N,N-diethyl-2-(2-methoxyphenyl)piperazine-1-sulfonamide;hydrochloride
CID 120763279
2-(2-methoxyphenyl)-1-(4-methoxyphenyl)sulfonylpiperazine;hydrochloride
CID 120763094
2-(2-methoxyphenyl)-1-(2-methylphenyl)sulfonylpiperazine;hydrochloride
CID 120763471
2-(2-methoxyphenyl)-N-methyl-N-propan-2-ylpiperazine-1-sulfonamide
CID 120763359
2-(2-methoxyphenyl)-1-piperidin-1-ylsulfonylpiperazine
CID 120763163
1-(cyclohexylmethylsulfonyl)-2-(2-methoxyphenyl)piperazine
CID 120763181
1-(2,4-difluorophenyl)sulfonyl-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120763166
1-(3-chloro-2-fluorophenyl)sulfonyl-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120763415
(2S)-2-(2-methoxyphenyl)-1-pyridin-3-ylsulfonylpiperazine
CID 124971463
4-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-2,2-dimethylmorpholine
CID 120763328
1-(2-chloro-5-methoxyphenyl)sulfonyl-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120763257

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonylthiane 1,1-dioxide;hydrochloride?
The IUPAC name of 4-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonylthiane 1,1-dioxide;hydrochloride (CID 120876689) is 4-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonylthiane 1,1-dioxide;hydrochloride.
What is the SMILES notation for 4-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonylthiane 1,1-dioxide;hydrochloride?
The canonical SMILES for 4-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonylthiane 1,1-dioxide;hydrochloride is COc1ccccc1C1CNCCN1S(=O)(=O)C1CCS(=O)(=O)CC1.Cl.
What is the InChIKey of 4-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonylthiane 1,1-dioxide;hydrochloride?
The InChIKey is AXGHMRGNJUXQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O5S2.ClH/c1-23-16-5-3-2-4-14(16)15-12-17-8-9-18(15)25(21,22)13-6-10-24(19,20)11-7-13;/h2-5,13,15,17H,6-12H2,1H3;1H.
What are the key properties of 4-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonylthiane 1,1-dioxide;hydrochloride?
4-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonylthiane 1,1-dioxide;hydrochloride has a molecular weight of 424.97 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonylthiane 1,1-dioxide;hydrochloride is sourced from PubChem (CID 120876689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).