2-(4,4-dimethylpiperidin-1-yl)sulfonylphenol

C13H19NO3S — CID 81245578

IUPAC2-(4,4-dimethylpiperidin-1-yl)sulfonylphenol
SMILESCC1(C)CCN(S(=O)(=O)c2ccccc2O)CC1
InChIInChI=1S/C13H19NO3S/c1-13(2)7-9-14(10-8-13)18(16,17)12-6-4-3-5-11(12)15/h3-6,15H,7-10H2,1-2H3
InChIKeyFWIXERIZDNRYQJ-UHFFFAOYSA-N
MW269.37 g/mol
LogP2.20
Rot. Bonds2

About 2-(4,4-dimethylpiperidin-1-yl)sulfonylphenol

2-(4,4-dimethylpiperidin-1-yl)sulfonylphenol (PubChem CID 81245578) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-(4,4-dimethylpiperidin-1-yl)sulfonylphenol.

Molecular Properties

Compound Name2-(4,4-dimethylpiperidin-1-yl)sulfonylphenol
PubChem CID81245578
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name2-(4,4-dimethylpiperidin-1-yl)sulfonylphenol
SMILESCC1(C)CCN(S(=O)(=O)c2ccccc2O)CC1
InChIInChI=1S/C13H19NO3S/c1-13(2)7-9-14(10-8-13)18(16,17)12-6-4-3-5-11(12)15/h3-6,15H,7-10H2,1-2H3
InChIKeyFWIXERIZDNRYQJ-UHFFFAOYSA-N
XLogP2.20
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4,4-dimethylpiperidin-1-yl)sulfonylbenzenesulfonamide
CID 62929979
1-(2-bromophenyl)sulfonyl-4,4-dimethylpiperidine
CID 62922388
1-(benzenesulfonyl)-4,4-dimethylpiperidine
CID 58376409
2-morpholin-4-ylsulfonylphenol
CID 79020270
2-[4-(hydroxymethyl)piperidin-1-yl]sulfonylphenol
CID 81241911
2-(4-cyclopropylpiperazin-1-yl)sulfonylphenol
CID 81241270
[2-(4,4-dimethylazepan-1-yl)sulfonylphenyl]hydrazine
CID 65282986
2-(3-methoxy-3-methylpiperidin-1-yl)sulfonylphenol
CID 107393856
N,4-dimethyl-1-(2-methylphenyl)sulfonylpiperidin-4-amine
CID 115304789
1-[(2-chloro-3-pyridinyl)sulfonyl]-4,4-dimethylazepane
CID 65280982
1-(2,3-dichlorophenyl)sulfonyl-4-methylpiperidin-4-ol
CID 81103333
1-(4-fluoro-2-methylphenyl)sulfonyl-4,4-dimethylpiperidine
CID 110738659

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethylpiperidin-1-yl)sulfonylphenol?
The IUPAC name of 2-(4,4-dimethylpiperidin-1-yl)sulfonylphenol (CID 81245578) is 2-(4,4-dimethylpiperidin-1-yl)sulfonylphenol.
What is the SMILES notation for 2-(4,4-dimethylpiperidin-1-yl)sulfonylphenol?
The canonical SMILES for 2-(4,4-dimethylpiperidin-1-yl)sulfonylphenol is CC1(C)CCN(S(=O)(=O)c2ccccc2O)CC1.
What is the InChIKey of 2-(4,4-dimethylpiperidin-1-yl)sulfonylphenol?
The InChIKey is FWIXERIZDNRYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-13(2)7-9-14(10-8-13)18(16,17)12-6-4-3-5-11(12)15/h3-6,15H,7-10H2,1-2H3.
What are the key properties of 2-(4,4-dimethylpiperidin-1-yl)sulfonylphenol?
2-(4,4-dimethylpiperidin-1-yl)sulfonylphenol has a molecular weight of 269.37 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethylpiperidin-1-yl)sulfonylphenol is sourced from PubChem (CID 81245578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).