1-[2-(2,4-dimethylphenyl)sulfanylphenyl]-4-methylsulfonylpiperazine

C19H24N2O2S2 — CID 126602075

IUPAC1-[2-(2,4-dimethylphenyl)sulfanylphenyl]-4-methylsulfonylpiperazine
SMILESCc1ccc(Sc2ccccc2N2CCN(S(C)(=O)=O)CC2)c(C)c1
InChIInChI=1S/C19H24N2O2S2/c1-15-8-9-18(16(2)14-15)24-19-7-5-4-6-17(19)20-10-12-21(13-11-20)25(3,22)23/h4-9,14H,10-13H2,1-3H3
InChIKeyDNHGSCQYPGYVRR-UHFFFAOYSA-N
MW376.55 g/mol
LogP3.54
Rot. Bonds4

About 1-[2-(2,4-dimethylphenyl)sulfanylphenyl]-4-methylsulfonylpiperazine

1-[2-(2,4-dimethylphenyl)sulfanylphenyl]-4-methylsulfonylpiperazine (PubChem CID 126602075) has the molecular formula C19H24N2O2S2 and a molecular weight of 376.55 g/mol. Its IUPAC name is 1-[2-(2,4-dimethylphenyl)sulfanylphenyl]-4-methylsulfonylpiperazine.

Molecular Properties

Compound Name1-[2-(2,4-dimethylphenyl)sulfanylphenyl]-4-methylsulfonylpiperazine
PubChem CID126602075
Molecular FormulaC19H24N2O2S2
Molecular Weight376.55 g/mol
Exact Mass376.13
IUPAC Name1-[2-(2,4-dimethylphenyl)sulfanylphenyl]-4-methylsulfonylpiperazine
SMILESCc1ccc(Sc2ccccc2N2CCN(S(C)(=O)=O)CC2)c(C)c1
InChIInChI=1S/C19H24N2O2S2/c1-15-8-9-18(16(2)14-15)24-19-7-5-4-6-17(19)20-10-12-21(13-11-20)25(3,22)23/h4-9,14H,10-13H2,1-3H3
InChIKeyDNHGSCQYPGYVRR-UHFFFAOYSA-N
XLogP3.54
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.55
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[2-(2,4-dimethylphenyl)sulfanylphenyl]-4-methylsulfonylpiperazine 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

Vortioxetine
CID 9966051
Vortioxetine Hydrobromide
CID 56843850
1-Benzyl-4-[3-(methylsulfonyl)phenyl]piperazine
CID 45380179
Vortioxetine hydrochloride
CID 66860907
1-[(2,4-Dimethylphenyl)sulfonyl]-4-phenylpiperazine
CID 775783
2-[1-(4-ethylpiperazin-1-yl)sulfonylethyl]-10H-phenothiazine
CID 141756099
2-[1-(4-methylpiperazin-1-yl)sulfonylethyl]-10H-phenothiazine
CID 141756106
1-[2-(4-Methylphenyl)sulfonylethyl]-4-phenylpiperazine
CID 674306
1-(Mesitylsulfonyl)-4-phenylpiperazine
CID 710597
N-Hydroxy Vortioxetine
CID 118489532
N-[2,6-dimethyl-3-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-N,4-dimethylbenzenesulfonamide
CID 2938624
1-{3-[1-(Benzenesulfonyl)cyclobutyl]propyl}-4-phenylpiperazine
CID 21963826

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dimethylphenyl)sulfanylphenyl]-4-methylsulfonylpiperazine?
The IUPAC name of 1-[2-(2,4-dimethylphenyl)sulfanylphenyl]-4-methylsulfonylpiperazine (CID 126602075) is 1-[2-(2,4-dimethylphenyl)sulfanylphenyl]-4-methylsulfonylpiperazine.
What is the SMILES notation for 1-[2-(2,4-dimethylphenyl)sulfanylphenyl]-4-methylsulfonylpiperazine?
The canonical SMILES for 1-[2-(2,4-dimethylphenyl)sulfanylphenyl]-4-methylsulfonylpiperazine is Cc1ccc(Sc2ccccc2N2CCN(S(C)(=O)=O)CC2)c(C)c1.
What is the InChIKey of 1-[2-(2,4-dimethylphenyl)sulfanylphenyl]-4-methylsulfonylpiperazine?
The InChIKey is DNHGSCQYPGYVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S2/c1-15-8-9-18(16(2)14-15)24-19-7-5-4-6-17(19)20-10-12-21(13-11-20)25(3,22)23/h4-9,14H,10-13H2,1-3H3.
What are the key properties of 1-[2-(2,4-dimethylphenyl)sulfanylphenyl]-4-methylsulfonylpiperazine?
1-[2-(2,4-dimethylphenyl)sulfanylphenyl]-4-methylsulfonylpiperazine has a molecular weight of 376.55 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dimethylphenyl)sulfanylphenyl]-4-methylsulfonylpiperazine is sourced from PubChem (CID 126602075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).