2-methyl-4-piperidin-1-ylsulfonylphenol

C12H17NO3S — CID 138059728

IUPAC2-methyl-4-piperidin-1-ylsulfonylphenol
SMILESCc1cc(S(=O)(=O)N2CCCCC2)ccc1O
InChIInChI=1S/C12H17NO3S/c1-10-9-11(5-6-12(10)14)17(15,16)13-7-3-2-4-8-13/h5-6,9,14H,2-4,7-8H2,1H3
InChIKeyXAUCPMRVUNAABT-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.88
Rot. Bonds2

About 2-methyl-4-piperidin-1-ylsulfonylphenol

2-methyl-4-piperidin-1-ylsulfonylphenol (PubChem CID 138059728) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is 2-methyl-4-piperidin-1-ylsulfonylphenol.

Molecular Properties

Compound Name2-methyl-4-piperidin-1-ylsulfonylphenol
PubChem CID138059728
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC Name2-methyl-4-piperidin-1-ylsulfonylphenol
SMILESCc1cc(S(=O)(=O)N2CCCCC2)ccc1O
InChIInChI=1S/C12H17NO3S/c1-10-9-11(5-6-12(10)14)17(15,16)13-7-3-2-4-8-13/h5-6,9,14H,2-4,7-8H2,1H3
InChIKeyXAUCPMRVUNAABT-UHFFFAOYSA-N
XLogP1.88
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-3-methylphenyl)sulfonylpyrrolidine
CID 4885054
(2-methyl-4-piperidin-1-ylsulfonylphenyl)methanamine
CID 106919079
1-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpyrrolidine
CID 646959
1-(4-methyl-3-pyrrolidin-1-ylphenyl)sulfonylpiperidine
CID 168512938
2-methyl-5-piperidin-1-ylsulfonylbenzoyl chloride
CID 20982783
1-(4-methylphenyl)sulfonyl-azacycloundecane
CID 12715310
azepan-1-yl-(2-methyl-5-piperidin-1-ylsulfonylphenyl)methanone
CID 2344798
1-[3-(2,5-dimethylpyrrol-1-yl)-4-methylphenyl]sulfonylpiperidine
CID 2359920
2-chloro-4-(4-piperidin-1-ylsulfonylphenyl)phenol
CID 53221589
1-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3-(2-methylphenyl)thiourea
CID 42993074
1-[4-(4-methylphenyl)phenyl]sulfonylazepane
CID 852205
N-(2,4-dimethylphenyl)-2-hydroxy-5-pyrrolidin-1-ylsulfonylbenzamide
CID 43853676

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-piperidin-1-ylsulfonylphenol?
The IUPAC name of 2-methyl-4-piperidin-1-ylsulfonylphenol (CID 138059728) is 2-methyl-4-piperidin-1-ylsulfonylphenol.
What is the SMILES notation for 2-methyl-4-piperidin-1-ylsulfonylphenol?
The canonical SMILES for 2-methyl-4-piperidin-1-ylsulfonylphenol is Cc1cc(S(=O)(=O)N2CCCCC2)ccc1O.
What is the InChIKey of 2-methyl-4-piperidin-1-ylsulfonylphenol?
The InChIKey is XAUCPMRVUNAABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-10-9-11(5-6-12(10)14)17(15,16)13-7-3-2-4-8-13/h5-6,9,14H,2-4,7-8H2,1H3.
What are the key properties of 2-methyl-4-piperidin-1-ylsulfonylphenol?
2-methyl-4-piperidin-1-ylsulfonylphenol has a molecular weight of 255.34 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-piperidin-1-ylsulfonylphenol is sourced from PubChem (CID 138059728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).