2-(methylamino)-1-(4-methyl-3-methylsulfonylphenyl)ethanol

C11H17NO3S — CID 117360557

IUPAC2-(methylamino)-1-(4-methyl-3-methylsulfonylphenyl)ethanol
SMILESCNCC(O)c1ccc(C)c(S(C)(=O)=O)c1
InChIInChI=1S/C11H17NO3S/c1-8-4-5-9(10(13)7-12-2)6-11(8)16(3,14)15/h4-6,10,12-13H,7H2,1-3H3
InChIKeyHRCFYPBRSPDPPM-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.65
Rot. Bonds4

About 2-(methylamino)-1-(4-methyl-3-methylsulfonylphenyl)ethanol

2-(methylamino)-1-(4-methyl-3-methylsulfonylphenyl)ethanol (PubChem CID 117360557) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is 2-(methylamino)-1-(4-methyl-3-methylsulfonylphenyl)ethanol.

Molecular Properties

Compound Name2-(methylamino)-1-(4-methyl-3-methylsulfonylphenyl)ethanol
PubChem CID117360557
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC Name2-(methylamino)-1-(4-methyl-3-methylsulfonylphenyl)ethanol
SMILESCNCC(O)c1ccc(C)c(S(C)(=O)=O)c1
InChIInChI=1S/C11H17NO3S/c1-8-4-5-9(10(13)7-12-2)6-11(8)16(3,14)15/h4-6,10,12-13H,7H2,1-3H3
InChIKeyHRCFYPBRSPDPPM-UHFFFAOYSA-N
XLogP0.65
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-hydroxy-2-(4-methyl-3-methylsulfonylphenyl)acetate
CID 117399307
4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;sulfuric acid
CID 67900576
ethane;1-methyl-2-methylsulfonyl-4-propan-2-ylbenzene
CID 176666270
2-(methylamino)-1-[4-(2-methyl-1-methylsulfonylpropan-2-yl)phenyl]ethanol
CID 117108182
5-[(1S)-2-amino-1-hydroxyethyl]-2-methylbenzenesulfonamide
CID 22852735
2-aminoguanidine;4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;methanesulfonic acid
CID 175014264
2-(methylamino)-1-[3-(methylsulfonylmethyl)phenyl]ethanol
CID 117360561
5-[(1R)-2-amino-1-hydroxyethyl]-2-methylbenzenesulfonamide;hydrochloride
CID 22852732
4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;hydrate
CID 18674898
4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;hydroiodide
CID 71478439
4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;hydrobromide
CID 71478438
[2-hydroxy-4-[(1S)-1-hydroxy-2-(methylamino)ethyl]phenyl] hydrogen sulfate
CID 53471836

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-(4-methyl-3-methylsulfonylphenyl)ethanol?
The IUPAC name of 2-(methylamino)-1-(4-methyl-3-methylsulfonylphenyl)ethanol (CID 117360557) is 2-(methylamino)-1-(4-methyl-3-methylsulfonylphenyl)ethanol.
What is the SMILES notation for 2-(methylamino)-1-(4-methyl-3-methylsulfonylphenyl)ethanol?
The canonical SMILES for 2-(methylamino)-1-(4-methyl-3-methylsulfonylphenyl)ethanol is CNCC(O)c1ccc(C)c(S(C)(=O)=O)c1.
What is the InChIKey of 2-(methylamino)-1-(4-methyl-3-methylsulfonylphenyl)ethanol?
The InChIKey is HRCFYPBRSPDPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-8-4-5-9(10(13)7-12-2)6-11(8)16(3,14)15/h4-6,10,12-13H,7H2,1-3H3.
What are the key properties of 2-(methylamino)-1-(4-methyl-3-methylsulfonylphenyl)ethanol?
2-(methylamino)-1-(4-methyl-3-methylsulfonylphenyl)ethanol has a molecular weight of 243.33 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-(4-methyl-3-methylsulfonylphenyl)ethanol is sourced from PubChem (CID 117360557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).