2-(3-methoxy-3-methylpiperidin-1-yl)sulfonylphenol

C13H19NO4S — CID 107393856

IUPAC2-(3-methoxy-3-methylpiperidin-1-yl)sulfonylphenol
SMILESCOC1(C)CCCN(S(=O)(=O)c2ccccc2O)C1
InChIInChI=1S/C13H19NO4S/c1-13(18-2)8-5-9-14(10-13)19(16,17)12-7-4-3-6-11(12)15/h3-4,6-7,15H,5,8-10H2,1-2H3
InChIKeyMVTWJFMSUOJUCY-UHFFFAOYSA-N
MW285.36 g/mol
LogP1.58
Rot. Bonds3

About 2-(3-methoxy-3-methylpiperidin-1-yl)sulfonylphenol

2-(3-methoxy-3-methylpiperidin-1-yl)sulfonylphenol (PubChem CID 107393856) has the molecular formula C13H19NO4S and a molecular weight of 285.36 g/mol. Its IUPAC name is 2-(3-methoxy-3-methylpiperidin-1-yl)sulfonylphenol.

Molecular Properties

Compound Name2-(3-methoxy-3-methylpiperidin-1-yl)sulfonylphenol
PubChem CID107393856
Molecular FormulaC13H19NO4S
Molecular Weight285.36 g/mol
Exact Mass285.10
IUPAC Name2-(3-methoxy-3-methylpiperidin-1-yl)sulfonylphenol
SMILESCOC1(C)CCCN(S(=O)(=O)c2ccccc2O)C1
InChIInChI=1S/C13H19NO4S/c1-13(18-2)8-5-9-14(10-13)19(16,17)12-7-4-3-6-11(12)15/h3-4,6-7,15H,5,8-10H2,1-2H3
InChIKeyMVTWJFMSUOJUCY-UHFFFAOYSA-N
XLogP1.58
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methoxy-3-methylpiperidin-1-yl)sulfonylbenzoic acid
CID 107390980
5-(3-methoxy-3-methylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one
CID 107394155
3-methoxy-4-(3-methoxy-3-methylpiperidin-1-yl)sulfonylaniline
CID 107390417
2-(4,4-dimethylpiperidin-1-yl)sulfonylphenol
CID 81245578
5-bromo-4-(3-methoxy-3-methylpiperidin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 107390938
3-(3-methoxy-3-methylpiperidin-1-yl)sulfonyl-4-methylbenzonitrile
CID 107392659
1-[2-(chloromethyl)-5-fluorophenyl]sulfonyl-3-methoxy-3-methylpiperidine
CID 107396132
1-[5-bromo-4-(3-methoxy-3-methylpiperidin-1-yl)sulfonylfuran-2-yl]-N-methylmethanamine
CID 107396218
3,5-difluoro-4-(3-methoxy-3-methylpiperidin-1-yl)sulfonylaniline
CID 107390370
1-(4-bromo-3-methylphenyl)sulfonyl-3-methoxy-3-methylpiperidine
CID 107394304
2-methoxy-4-(3-methoxy-3-methylpiperidin-1-yl)sulfonylaniline
CID 107390440
1-[3-(3-methoxy-3-methylpiperidin-1-yl)sulfonylphenyl]-N-methylmethanamine
CID 107396221

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-3-methylpiperidin-1-yl)sulfonylphenol?
The IUPAC name of 2-(3-methoxy-3-methylpiperidin-1-yl)sulfonylphenol (CID 107393856) is 2-(3-methoxy-3-methylpiperidin-1-yl)sulfonylphenol.
What is the SMILES notation for 2-(3-methoxy-3-methylpiperidin-1-yl)sulfonylphenol?
The canonical SMILES for 2-(3-methoxy-3-methylpiperidin-1-yl)sulfonylphenol is COC1(C)CCCN(S(=O)(=O)c2ccccc2O)C1.
What is the InChIKey of 2-(3-methoxy-3-methylpiperidin-1-yl)sulfonylphenol?
The InChIKey is MVTWJFMSUOJUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4S/c1-13(18-2)8-5-9-14(10-13)19(16,17)12-7-4-3-6-11(12)15/h3-4,6-7,15H,5,8-10H2,1-2H3.
What are the key properties of 2-(3-methoxy-3-methylpiperidin-1-yl)sulfonylphenol?
2-(3-methoxy-3-methylpiperidin-1-yl)sulfonylphenol has a molecular weight of 285.36 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-3-methylpiperidin-1-yl)sulfonylphenol is sourced from PubChem (CID 107393856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).