2-amino-3-[(1-methylsulfonylpiperidin-3-yl)methoxy]phenol

C13H20N2O4S — CID 114764358

IUPAC2-amino-3-[(1-methylsulfonylpiperidin-3-yl)methoxy]phenol
SMILESCS(=O)(=O)N1CCCC(COc2cccc(O)c2N)C1
InChIInChI=1S/C13H20N2O4S/c1-20(17,18)15-7-3-4-10(8-15)9-19-12-6-2-5-11(16)13(12)14/h2,5-6,10,16H,3-4,7-9,14H2,1H3
InChIKeyYKCRRUXGLBDWAN-UHFFFAOYSA-N
MW300.38 g/mol
LogP1.02
Rot. Bonds4

About 2-amino-3-[(1-methylsulfonylpiperidin-3-yl)methoxy]phenol

2-amino-3-[(1-methylsulfonylpiperidin-3-yl)methoxy]phenol (PubChem CID 114764358) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is 2-amino-3-[(1-methylsulfonylpiperidin-3-yl)methoxy]phenol.

Molecular Properties

Compound Name2-amino-3-[(1-methylsulfonylpiperidin-3-yl)methoxy]phenol
PubChem CID114764358
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Name2-amino-3-[(1-methylsulfonylpiperidin-3-yl)methoxy]phenol
SMILESCS(=O)(=O)N1CCCC(COc2cccc(O)c2N)C1
InChIInChI=1S/C13H20N2O4S/c1-20(17,18)15-7-3-4-10(8-15)9-19-12-6-2-5-11(16)13(12)14/h2,5-6,10,16H,3-4,7-9,14H2,1H3
InChIKeyYKCRRUXGLBDWAN-UHFFFAOYSA-N
XLogP1.02
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

3-[(1-methylsulfonylpiperidin-3-yl)methoxy]pyridin-2-amine
CID 79604536
[2-chloro-6-[(1-methylsulfonylpiperidin-3-yl)methoxy]phenyl]methanol
CID 114320416
3-[(5-bromo-2-methylphenoxy)methyl]-1-methylsulfonylpiperidine
CID 107284258
2-[4-[(1-methylsulfonylpiperidin-3-yl)methoxy]phenyl]ethanol
CID 107709460
5-methyl-2-[(1-methylsulfonylpiperidin-3-yl)methoxy]benzaldehyde
CID 79612879
1-ethylsulfonyl-3-[(2-fluorophenoxy)methyl]piperidine
CID 110638637
4-[(1-methylsulfonylpiperidin-3-yl)methoxymethyl]aniline
CID 79604451
3-fluoro-4-[(1-methylsulfonylpiperidin-3-yl)methoxy]benzonitrile
CID 103793518
3-[(2-methylphenoxy)methyl]-1-propylsulfonylpiperidine
CID 110638480
3-bromo-5-fluoro-2-[(1-methylsulfonylpiperidin-3-yl)methoxy]aniline
CID 79612824
2-(1-methylsulfonylpiperidin-3-yl)-1-phenylethanamine
CID 79610284
3-[(1-methylsulfonylpiperidin-3-yl)methoxy]cyclobutan-1-amine
CID 79610235

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(1-methylsulfonylpiperidin-3-yl)methoxy]phenol?
The IUPAC name of 2-amino-3-[(1-methylsulfonylpiperidin-3-yl)methoxy]phenol (CID 114764358) is 2-amino-3-[(1-methylsulfonylpiperidin-3-yl)methoxy]phenol.
What is the SMILES notation for 2-amino-3-[(1-methylsulfonylpiperidin-3-yl)methoxy]phenol?
The canonical SMILES for 2-amino-3-[(1-methylsulfonylpiperidin-3-yl)methoxy]phenol is CS(=O)(=O)N1CCCC(COc2cccc(O)c2N)C1.
What is the InChIKey of 2-amino-3-[(1-methylsulfonylpiperidin-3-yl)methoxy]phenol?
The InChIKey is YKCRRUXGLBDWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-20(17,18)15-7-3-4-10(8-15)9-19-12-6-2-5-11(16)13(12)14/h2,5-6,10,16H,3-4,7-9,14H2,1H3.
What are the key properties of 2-amino-3-[(1-methylsulfonylpiperidin-3-yl)methoxy]phenol?
2-amino-3-[(1-methylsulfonylpiperidin-3-yl)methoxy]phenol has a molecular weight of 300.38 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[(1-methylsulfonylpiperidin-3-yl)methoxy]phenol is sourced from PubChem (CID 114764358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).