3-(4-methylsulfonylpiperazin-1-yl)phenol

C11H16N2O3S — CID 640050

IUPAC3-(4-methylsulfonylpiperazin-1-yl)phenol
SMILESCS(=O)(=O)N1CCN(c2cccc(O)c2)CC1
InChIInChI=1S/C11H16N2O3S/c1-17(15,16)13-7-5-12(6-8-13)10-3-2-4-11(14)9-10/h2-4,9,14H,5-8H2,1H3
InChIKeyHEBPQBTYYPPLGG-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.47
Rot. Bonds2

About 3-(4-methylsulfonylpiperazin-1-yl)phenol

3-(4-methylsulfonylpiperazin-1-yl)phenol (PubChem CID 640050) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 3-(4-methylsulfonylpiperazin-1-yl)phenol.

Molecular Properties

Compound Name3-(4-methylsulfonylpiperazin-1-yl)phenol
PubChem CID640050
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name3-(4-methylsulfonylpiperazin-1-yl)phenol
SMILESCS(=O)(=O)N1CCN(c2cccc(O)c2)CC1
InChIInChI=1S/C11H16N2O3S/c1-17(15,16)13-7-5-12(6-8-13)10-3-2-4-11(14)9-10/h2-4,9,14H,5-8H2,1H3
InChIKeyHEBPQBTYYPPLGG-UHFFFAOYSA-N
XLogP0.47
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-methylsulfonylpiperazin-1-yl)naphthalen-2-ol
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3-(4-benzylsulfonylpiperazin-1-yl)phenol
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3-[4-(2,5-dimethylfuran-3-yl)sulfonylpiperazin-1-yl]phenol
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1-(4-methylsulfonylpiperazin-1-yl)-4-(4-phenylpiperazin-1-yl)butane-1,4-dione
CID 29136351
N-[3-(4-methylsulfonylpiperazin-1-yl)phenyl]benzenesulfonamide
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2-chloro-N-[3-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide
CID 110362862
4-(3-methylsulfonylphenyl)piperazine-1-sulfonyl chloride
CID 75409784
1-(3-hydroxyphenyl)piperidin-4-ol
CID 59526962
1-[2-amino-5-(4-methylsulfonylpiperazin-1-yl)phenyl]ethanone
CID 104612778
N-methyl-4-(4-methylsulfonylpiperazin-1-yl)benzamide
CID 59145502
N-hydroxy-4-(4-methylsulfonylpiperazin-1-yl)benzamide
CID 11231850
3-amino-4-[4-(3-hydroxyphenyl)piperazin-1-yl]cyclobut-3-ene-1,2-dione
CID 134069396

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylsulfonylpiperazin-1-yl)phenol?
The IUPAC name of 3-(4-methylsulfonylpiperazin-1-yl)phenol (CID 640050) is 3-(4-methylsulfonylpiperazin-1-yl)phenol.
What is the SMILES notation for 3-(4-methylsulfonylpiperazin-1-yl)phenol?
The canonical SMILES for 3-(4-methylsulfonylpiperazin-1-yl)phenol is CS(=O)(=O)N1CCN(c2cccc(O)c2)CC1.
What is the InChIKey of 3-(4-methylsulfonylpiperazin-1-yl)phenol?
The InChIKey is HEBPQBTYYPPLGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-17(15,16)13-7-5-12(6-8-13)10-3-2-4-11(14)9-10/h2-4,9,14H,5-8H2,1H3.
What are the key properties of 3-(4-methylsulfonylpiperazin-1-yl)phenol?
3-(4-methylsulfonylpiperazin-1-yl)phenol has a molecular weight of 256.33 g/mol, XLogP of 0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylsulfonylpiperazin-1-yl)phenol is sourced from PubChem (CID 640050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).