4-methyl-1-(4-methylsulfanylphenyl)sulfonyl-2-phenylpiperazine

C18H22N2O2S2 — CID 49238178

IUPAC4-methyl-1-(4-methylsulfanylphenyl)sulfonyl-2-phenylpiperazine
SMILESCSc1ccc(S(=O)(=O)N2CCN(C)CC2c2ccccc2)cc1
InChIInChI=1S/C18H22N2O2S2/c1-19-12-13-20(18(14-19)15-6-4-3-5-7-15)24(21,22)17-10-8-16(23-2)9-11-17/h3-11,18H,12-14H2,1-2H3
InChIKeyNINYPWMKETZOEX-UHFFFAOYSA-N
MW362.52 g/mol
LogP3.09
Rot. Bonds4

About 4-methyl-1-(4-methylsulfanylphenyl)sulfonyl-2-phenylpiperazine

4-methyl-1-(4-methylsulfanylphenyl)sulfonyl-2-phenylpiperazine (PubChem CID 49238178) has the molecular formula C18H22N2O2S2 and a molecular weight of 362.52 g/mol. Its IUPAC name is 4-methyl-1-(4-methylsulfanylphenyl)sulfonyl-2-phenylpiperazine.

Molecular Properties

Compound Name4-methyl-1-(4-methylsulfanylphenyl)sulfonyl-2-phenylpiperazine
PubChem CID49238178
Molecular FormulaC18H22N2O2S2
Molecular Weight362.52 g/mol
Exact Mass362.11
IUPAC Name4-methyl-1-(4-methylsulfanylphenyl)sulfonyl-2-phenylpiperazine
SMILESCSc1ccc(S(=O)(=O)N2CCN(C)CC2c2ccccc2)cc1
InChIInChI=1S/C18H22N2O2S2/c1-19-12-13-20(18(14-19)15-6-4-3-5-7-15)24(21,22)17-10-8-16(23-2)9-11-17/h3-11,18H,12-14H2,1-2H3
InChIKeyNINYPWMKETZOEX-UHFFFAOYSA-N
XLogP3.09
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chloro-4-methylsulfanylphenyl)sulfonyl-4-methyl-2-phenylpiperazine
CID 154800979
1-(4-cyclohexylphenyl)sulfonyl-4-methyl-2-phenylpiperazine;hydrochloride
CID 17434921
1-(3,5-dichlorophenyl)sulfonyl-4-methyl-2-phenylpiperazine
CID 46820976
4-methyl-1-methylsulfonyl-2-phenylpiperazine;hydrochloride
CID 47013193
(2R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-methyl-2-phenylpiperazine
CID 8818673
1-(3,4-diethoxyphenyl)sulfonyl-4-methyl-2-phenylpiperazine;hydrochloride
CID 55386395
methyl 3-[(2S)-4-methyl-2-phenylpiperazin-1-yl]sulfonylbenzoate
CID 31765455
1-(benzenesulfonyl)-2-phenylaziridine
CID 576325
1-(4-methyl-2-phenylpiperazin-1-yl)sulfonylazepane
CID 43042480
1-(4-methylphenyl)sulfonyl-2-phenylaziridine
CID 576319
2-(4-methyl-2-phenylpiperazin-1-yl)sulfonylpropanoic acid
CID 61454190
(2S)-1-(4-methylphenyl)sulfonyl-2-phenylazetidine
CID 16731480

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(4-methylsulfanylphenyl)sulfonyl-2-phenylpiperazine?
The IUPAC name of 4-methyl-1-(4-methylsulfanylphenyl)sulfonyl-2-phenylpiperazine (CID 49238178) is 4-methyl-1-(4-methylsulfanylphenyl)sulfonyl-2-phenylpiperazine.
What is the SMILES notation for 4-methyl-1-(4-methylsulfanylphenyl)sulfonyl-2-phenylpiperazine?
The canonical SMILES for 4-methyl-1-(4-methylsulfanylphenyl)sulfonyl-2-phenylpiperazine is CSc1ccc(S(=O)(=O)N2CCN(C)CC2c2ccccc2)cc1.
What is the InChIKey of 4-methyl-1-(4-methylsulfanylphenyl)sulfonyl-2-phenylpiperazine?
The InChIKey is NINYPWMKETZOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S2/c1-19-12-13-20(18(14-19)15-6-4-3-5-7-15)24(21,22)17-10-8-16(23-2)9-11-17/h3-11,18H,12-14H2,1-2H3.
What are the key properties of 4-methyl-1-(4-methylsulfanylphenyl)sulfonyl-2-phenylpiperazine?
4-methyl-1-(4-methylsulfanylphenyl)sulfonyl-2-phenylpiperazine has a molecular weight of 362.52 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(4-methylsulfanylphenyl)sulfonyl-2-phenylpiperazine is sourced from PubChem (CID 49238178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).