3-[[methyl(2-methylsulfonylethyl)amino]methyl]phenol

C11H17NO3S — CID 79672837

IUPAC3-[[methyl(2-methylsulfonylethyl)amino]methyl]phenol
SMILESCN(CCS(C)(=O)=O)Cc1cccc(O)c1
InChIInChI=1S/C11H17NO3S/c1-12(6-7-16(2,14)15)9-10-4-3-5-11(13)8-10/h3-5,8,13H,6-7,9H2,1-2H3
InChIKeyYMJQXOXUVGUJQP-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.87
Rot. Bonds5

About 3-[[methyl(2-methylsulfonylethyl)amino]methyl]phenol

3-[[methyl(2-methylsulfonylethyl)amino]methyl]phenol (PubChem CID 79672837) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is 3-[[methyl(2-methylsulfonylethyl)amino]methyl]phenol.

Molecular Properties

Compound Name3-[[methyl(2-methylsulfonylethyl)amino]methyl]phenol
PubChem CID79672837
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC Name3-[[methyl(2-methylsulfonylethyl)amino]methyl]phenol
SMILESCN(CCS(C)(=O)=O)Cc1cccc(O)c1
InChIInChI=1S/C11H17NO3S/c1-12(6-7-16(2,14)15)9-10-4-3-5-11(13)8-10/h3-5,8,13H,6-7,9H2,1-2H3
InChIKeyYMJQXOXUVGUJQP-UHFFFAOYSA-N
XLogP0.87
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(3-hydroxyphenyl)methyl-methylamino]methyl]phenol
CID 22070428
N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-2-methylsulfonylethanamine
CID 54939511
2-[(3-hydroxyphenyl)methyl-methylamino]-N,N-dimethylacetamide
CID 79672932
4-[[methyl(2-methylsulfonylethyl)amino]methyl]aniline
CID 60917459
N-[(3-hydroxyphenyl)methyl]-N-methylacetamide
CID 61150384
2-chloro-6-[[methyl(2-methylsulfonylethyl)amino]methyl]phenol
CID 112553470
3-[2-[methyl(propan-2-yl)amino]ethyl]phenol
CID 167492179
3-[[3-(furan-2-yl)propyl-methylamino]methyl]phenol
CID 91833366
2-bromo-4-[[methyl(2-methylsulfonylethyl)amino]methyl]aniline
CID 79864416
N-methyl-2-methylsulfonyl-N-[(4-trimethylsilylphenyl)methyl]ethanamine
CID 103438475
1-(2,4-dihydroxyphenyl)-2-[methyl(2-methylsulfonylethyl)amino]ethanone
CID 79850569
2-[(3-hydroxyphenyl)methyl-methylamino]-N-propan-2-ylacetamide
CID 79673031

Frequently Asked Questions

What is the IUPAC name of 3-[[methyl(2-methylsulfonylethyl)amino]methyl]phenol?
The IUPAC name of 3-[[methyl(2-methylsulfonylethyl)amino]methyl]phenol (CID 79672837) is 3-[[methyl(2-methylsulfonylethyl)amino]methyl]phenol.
What is the SMILES notation for 3-[[methyl(2-methylsulfonylethyl)amino]methyl]phenol?
The canonical SMILES for 3-[[methyl(2-methylsulfonylethyl)amino]methyl]phenol is CN(CCS(C)(=O)=O)Cc1cccc(O)c1.
What is the InChIKey of 3-[[methyl(2-methylsulfonylethyl)amino]methyl]phenol?
The InChIKey is YMJQXOXUVGUJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-12(6-7-16(2,14)15)9-10-4-3-5-11(13)8-10/h3-5,8,13H,6-7,9H2,1-2H3.
What are the key properties of 3-[[methyl(2-methylsulfonylethyl)amino]methyl]phenol?
3-[[methyl(2-methylsulfonylethyl)amino]methyl]phenol has a molecular weight of 243.33 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl(2-methylsulfonylethyl)amino]methyl]phenol is sourced from PubChem (CID 79672837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).