2-(methylamino)-1-[3-(methylsulfonylmethyl)phenyl]ethanol

C11H17NO3S — CID 117360561

IUPAC2-(methylamino)-1-[3-(methylsulfonylmethyl)phenyl]ethanol
SMILESCNCC(O)c1cccc(CS(C)(=O)=O)c1
InChIInChI=1S/C11H17NO3S/c1-12-7-11(13)10-5-3-4-9(6-10)8-16(2,14)15/h3-6,11-13H,7-8H2,1-2H3
InChIKeyLOCYUXGQFKMIFS-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.48
Rot. Bonds5

About 2-(methylamino)-1-[3-(methylsulfonylmethyl)phenyl]ethanol

2-(methylamino)-1-[3-(methylsulfonylmethyl)phenyl]ethanol (PubChem CID 117360561) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is 2-(methylamino)-1-[3-(methylsulfonylmethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-(methylamino)-1-[3-(methylsulfonylmethyl)phenyl]ethanol
PubChem CID117360561
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC Name2-(methylamino)-1-[3-(methylsulfonylmethyl)phenyl]ethanol
SMILESCNCC(O)c1cccc(CS(C)(=O)=O)c1
InChIInChI=1S/C11H17NO3S/c1-12-7-11(13)10-5-3-4-9(6-10)8-16(2,14)15/h3-6,11-13H,7-8H2,1-2H3
InChIKeyLOCYUXGQFKMIFS-UHFFFAOYSA-N
XLogP0.48
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(2-fluoropropyl)phenyl]-2-(methylamino)ethanol
CID 117301973
3-[(1S)-1-hydroxy-2-(methylamino)ethyl]phenol;hydrochloride
CID 16745125
(1R)-1-(3-bromophenyl)-2-(methylamino)ethanol
CID 39247726
2-(methylamino)-1-(3-nitrosophenyl)ethanol
CID 143634279
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(methylsulfonylmethyl)benzamide
CID 55655576
2-(methylamino)-1-(4-methyl-3-methylsulfonylphenyl)ethanol
CID 117360557
4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;sulfuric acid
CID 67900576
N-[3-(methylsulfonylmethyl)phenyl]hydroxylamine;hydrate
CID 160690063
(Z)-but-2-enedioic acid;3-[1-hydroxy-2-(methylamino)ethyl]phenol
CID 68717826
2-[3-(methylsulfonylmethyl)phenyl]ethanol
CID 117305725
[3-(1-hydroxyethyl)phenyl]methanesulfonyl chloride
CID 117117225
2-(methylamino)-1-[4-(2-methyl-1-methylsulfonylpropan-2-yl)phenyl]ethanol
CID 117108182

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-[3-(methylsulfonylmethyl)phenyl]ethanol?
The IUPAC name of 2-(methylamino)-1-[3-(methylsulfonylmethyl)phenyl]ethanol (CID 117360561) is 2-(methylamino)-1-[3-(methylsulfonylmethyl)phenyl]ethanol.
What is the SMILES notation for 2-(methylamino)-1-[3-(methylsulfonylmethyl)phenyl]ethanol?
The canonical SMILES for 2-(methylamino)-1-[3-(methylsulfonylmethyl)phenyl]ethanol is CNCC(O)c1cccc(CS(C)(=O)=O)c1.
What is the InChIKey of 2-(methylamino)-1-[3-(methylsulfonylmethyl)phenyl]ethanol?
The InChIKey is LOCYUXGQFKMIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-12-7-11(13)10-5-3-4-9(6-10)8-16(2,14)15/h3-6,11-13H,7-8H2,1-2H3.
What are the key properties of 2-(methylamino)-1-[3-(methylsulfonylmethyl)phenyl]ethanol?
2-(methylamino)-1-[3-(methylsulfonylmethyl)phenyl]ethanol has a molecular weight of 243.33 g/mol, XLogP of 0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-[3-(methylsulfonylmethyl)phenyl]ethanol is sourced from PubChem (CID 117360561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).