3-[2-[(dimethylamino)methyl]phenyl]sulfinylphenol

C15H17NO2S — CID 3080507

IUPAC3-[2-[(dimethylamino)methyl]phenyl]sulfinylphenol
SMILESCN(C)Cc1ccccc1S(=O)c1cccc(O)c1
InChIInChI=1S/C15H17NO2S/c1-16(2)11-12-6-3-4-9-15(12)19(18)14-8-5-7-13(17)10-14/h3-10,17H,11H2,1-2H3
InChIKeyMWJJIXOSZBGGMU-UHFFFAOYSA-N
MW275.37 g/mol
LogP2.62
Rot. Bonds4

About 3-[2-[(dimethylamino)methyl]phenyl]sulfinylphenol

3-[2-[(dimethylamino)methyl]phenyl]sulfinylphenol (PubChem CID 3080507) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is 3-[2-[(dimethylamino)methyl]phenyl]sulfinylphenol.

Molecular Properties

Compound Name3-[2-[(dimethylamino)methyl]phenyl]sulfinylphenol
PubChem CID3080507
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Name3-[2-[(dimethylamino)methyl]phenyl]sulfinylphenol
SMILESCN(C)Cc1ccccc1S(=O)c1cccc(O)c1
InChIInChI=1S/C15H17NO2S/c1-16(2)11-12-6-3-4-9-15(12)19(18)14-8-5-7-13(17)10-14/h3-10,17H,11H2,1-2H3
InChIKeyMWJJIXOSZBGGMU-UHFFFAOYSA-N
XLogP2.62
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(dimethylamino)methyl]phenyl]sulfinylphenol?
The IUPAC name of 3-[2-[(dimethylamino)methyl]phenyl]sulfinylphenol (CID 3080507) is 3-[2-[(dimethylamino)methyl]phenyl]sulfinylphenol.
What is the SMILES notation for 3-[2-[(dimethylamino)methyl]phenyl]sulfinylphenol?
The canonical SMILES for 3-[2-[(dimethylamino)methyl]phenyl]sulfinylphenol is CN(C)Cc1ccccc1S(=O)c1cccc(O)c1.
What is the InChIKey of 3-[2-[(dimethylamino)methyl]phenyl]sulfinylphenol?
The InChIKey is MWJJIXOSZBGGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-16(2)11-12-6-3-4-9-15(12)19(18)14-8-5-7-13(17)10-14/h3-10,17H,11H2,1-2H3.
What are the key properties of 3-[2-[(dimethylamino)methyl]phenyl]sulfinylphenol?
3-[2-[(dimethylamino)methyl]phenyl]sulfinylphenol has a molecular weight of 275.37 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(dimethylamino)methyl]phenyl]sulfinylphenol is sourced from PubChem (CID 3080507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).