2-methylsulfonyl-5-piperidin-2-ylphenol

C12H17NO3S — CID 117391593

IUPAC2-methylsulfonyl-5-piperidin-2-ylphenol
SMILESCS(=O)(=O)c1ccc(C2CCCCN2)cc1O
InChIInChI=1S/C12H17NO3S/c1-17(15,16)12-6-5-9(8-11(12)14)10-4-2-3-7-13-10/h5-6,8,10,13-14H,2-4,7H2,1H3
InChIKeyJBMADWTVIREFAJ-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.61
Rot. Bonds2

About 2-methylsulfonyl-5-piperidin-2-ylphenol

2-methylsulfonyl-5-piperidin-2-ylphenol (PubChem CID 117391593) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is 2-methylsulfonyl-5-piperidin-2-ylphenol.

Molecular Properties

Compound Name2-methylsulfonyl-5-piperidin-2-ylphenol
PubChem CID117391593
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC Name2-methylsulfonyl-5-piperidin-2-ylphenol
SMILESCS(=O)(=O)c1ccc(C2CCCCN2)cc1O
InChIInChI=1S/C12H17NO3S/c1-17(15,16)12-6-5-9(8-11(12)14)10-4-2-3-7-13-10/h5-6,8,10,13-14H,2-4,7H2,1H3
InChIKeyJBMADWTVIREFAJ-UHFFFAOYSA-N
XLogP1.61
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methoxy-4-methylsulfonylphenyl)pyrrolidine
CID 117391561
2-(3-methylsulfanyl-4-methylsulfonylphenyl)pyrrolidine
CID 117431655
2-bromo-5-[(2R)-piperidin-2-yl]phenol
CID 130699877
2-methyl-4-[(2R)-piperidin-2-yl]phenol
CID 131198389
(2R)-2-(4-methylsulfonylphenyl)piperidine;hydrochloride
CID 171195302
2-fluoro-5-[(2S)-piperidin-2-yl]phenol
CID 131076447
4-[(2S)-pyrrolidin-2-yl]benzene-1,2-diol
CID 66518287
2-(3-methylsulfonylphenyl)azepane
CID 62544544
2-iodo-4-[(2S)-piperidin-2-yl]phenol
CID 130646263
2-(4-methyl-2-methylsulfonylphenyl)piperidine
CID 117386781
4-piperidin-2-ylphenol
CID 19711202
2-methyl-4-pyrrolidin-2-ylphenol
CID 55283669

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-5-piperidin-2-ylphenol?
The IUPAC name of 2-methylsulfonyl-5-piperidin-2-ylphenol (CID 117391593) is 2-methylsulfonyl-5-piperidin-2-ylphenol.
What is the SMILES notation for 2-methylsulfonyl-5-piperidin-2-ylphenol?
The canonical SMILES for 2-methylsulfonyl-5-piperidin-2-ylphenol is CS(=O)(=O)c1ccc(C2CCCCN2)cc1O.
What is the InChIKey of 2-methylsulfonyl-5-piperidin-2-ylphenol?
The InChIKey is JBMADWTVIREFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-17(15,16)12-6-5-9(8-11(12)14)10-4-2-3-7-13-10/h5-6,8,10,13-14H,2-4,7H2,1H3.
What are the key properties of 2-methylsulfonyl-5-piperidin-2-ylphenol?
2-methylsulfonyl-5-piperidin-2-ylphenol has a molecular weight of 255.34 g/mol, XLogP of 1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-5-piperidin-2-ylphenol is sourced from PubChem (CID 117391593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).