1-(2-methylsulfanylphenyl)-4-methylsulfonylpiperazine

C12H18N2O2S2 — CID 3824582

IUPAC1-(2-methylsulfanylphenyl)-4-methylsulfonylpiperazine
SMILESCSc1ccccc1N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C12H18N2O2S2/c1-17-12-6-4-3-5-11(12)13-7-9-14(10-8-13)18(2,15)16/h3-6H,7-10H2,1-2H3
InChIKeySXQFCWSQJBQJQY-UHFFFAOYSA-N
MW286.42 g/mol
LogP1.49
Rot. Bonds3

About 1-(2-methylsulfanylphenyl)-4-methylsulfonylpiperazine

1-(2-methylsulfanylphenyl)-4-methylsulfonylpiperazine (PubChem CID 3824582) has the molecular formula C12H18N2O2S2 and a molecular weight of 286.42 g/mol. Its IUPAC name is 1-(2-methylsulfanylphenyl)-4-methylsulfonylpiperazine.

Molecular Properties

Compound Name1-(2-methylsulfanylphenyl)-4-methylsulfonylpiperazine
PubChem CID3824582
Molecular FormulaC12H18N2O2S2
Molecular Weight286.42 g/mol
Exact Mass286.08
IUPAC Name1-(2-methylsulfanylphenyl)-4-methylsulfonylpiperazine
SMILESCSc1ccccc1N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C12H18N2O2S2/c1-17-12-6-4-3-5-11(12)13-7-9-14(10-8-13)18(2,15)16/h3-6H,7-10H2,1-2H3
InChIKeySXQFCWSQJBQJQY-UHFFFAOYSA-N
XLogP1.49
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)sulfonyl-4-(2-methylsulfanylphenyl)piperazine
CID 3756255
1-(4-tert-butylphenyl)sulfonyl-4-(2-methylsulfanylphenyl)piperazine
CID 4996297
1-(2-methylsulfanylphenyl)-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine
CID 3482841
1-(2-methylsulfanylphenyl)pyrrolidine
CID 67751478
N-methyl-2-(4-methylsulfonylpiperazin-1-yl)aniline
CID 71142174
N-methyl-1-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]ethanamine
CID 62994127
2-(4-methylsulfonylpiperazin-1-yl)benzamide
CID 153409878
(1R)-1-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]propan-1-ol
CID 103960112
1-(2-methylsulfanylphenyl)piperazine;hydrochloride
CID 76852196
1-[2-fluoro-6-(4-methylsulfonylpiperazin-1-yl)phenyl]ethanamine
CID 62993795
(1R)-1-[2-fluoro-6-(4-methylsulfonylpiperazin-1-yl)phenyl]ethanol
CID 63371860
1-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]butan-2-amine
CID 63794003

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfanylphenyl)-4-methylsulfonylpiperazine?
The IUPAC name of 1-(2-methylsulfanylphenyl)-4-methylsulfonylpiperazine (CID 3824582) is 1-(2-methylsulfanylphenyl)-4-methylsulfonylpiperazine.
What is the SMILES notation for 1-(2-methylsulfanylphenyl)-4-methylsulfonylpiperazine?
The canonical SMILES for 1-(2-methylsulfanylphenyl)-4-methylsulfonylpiperazine is CSc1ccccc1N1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 1-(2-methylsulfanylphenyl)-4-methylsulfonylpiperazine?
The InChIKey is SXQFCWSQJBQJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S2/c1-17-12-6-4-3-5-11(12)13-7-9-14(10-8-13)18(2,15)16/h3-6H,7-10H2,1-2H3.
What are the key properties of 1-(2-methylsulfanylphenyl)-4-methylsulfonylpiperazine?
1-(2-methylsulfanylphenyl)-4-methylsulfonylpiperazine has a molecular weight of 286.42 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfanylphenyl)-4-methylsulfonylpiperazine is sourced from PubChem (CID 3824582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).