2-amino-2-(4,5-dimethyl-2-methylsulfonylphenyl)ethanol

C11H17NO3S — CID 117360588

IUPAC2-amino-2-(4,5-dimethyl-2-methylsulfonylphenyl)ethanol
SMILESCc1cc(C(N)CO)c(S(C)(=O)=O)cc1C
InChIInChI=1S/C11H17NO3S/c1-7-4-9(10(12)6-13)11(5-8(7)2)16(3,14)15/h4-5,10,13H,6,12H2,1-3H3
InChIKeyGWHLKUQTEWZVNX-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.70
Rot. Bonds3

About 2-amino-2-(4,5-dimethyl-2-methylsulfonylphenyl)ethanol

2-amino-2-(4,5-dimethyl-2-methylsulfonylphenyl)ethanol (PubChem CID 117360588) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is 2-amino-2-(4,5-dimethyl-2-methylsulfonylphenyl)ethanol.

Molecular Properties

Compound Name2-amino-2-(4,5-dimethyl-2-methylsulfonylphenyl)ethanol
PubChem CID117360588
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC Name2-amino-2-(4,5-dimethyl-2-methylsulfonylphenyl)ethanol
SMILESCc1cc(C(N)CO)c(S(C)(=O)=O)cc1C
InChIInChI=1S/C11H17NO3S/c1-7-4-9(10(12)6-13)11(5-8(7)2)16(3,14)15/h4-5,10,13H,6,12H2,1-3H3
InChIKeyGWHLKUQTEWZVNX-UHFFFAOYSA-N
XLogP0.70
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-3-(4,5-dimethyl-2-methylsulfonylphenyl)propanoic acid
CID 117431226
2-amino-2-(2-fluoro-4,5-dimethylphenyl)ethanol
CID 84769051
2-amino-2-(2,4,5-trimethylphenyl)ethanol
CID 17389879
1-(4,5-dimethyl-2-methylsulfonylphenyl)ethanol
CID 117329200
2-amino-2-(2-methoxy-4,5-dimethylphenyl)ethanol
CID 77129776
2-amino-2-(4,5-dimethyl-2-methylsulfanylphenyl)ethanol
CID 117302199
2-amino-2-(2,3,5-trimethylphenyl)ethanol
CID 117278132
2-amino-2-(3-bromo-4-methylsulfonylphenyl)ethanol
CID 117474476
(2R)-2-amino-2-(4-amino-2-fluoro-5-methylphenyl)ethanol
CID 66513540
2-amino-2-(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)ethanol
CID 117319704
2-(4,5-dimethyl-2-methylsulfonylphenyl)acetic acid
CID 117357836
(2S)-2-amino-2-(2,4-dimethylphenyl)ethanol
CID 42579716

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4,5-dimethyl-2-methylsulfonylphenyl)ethanol?
The IUPAC name of 2-amino-2-(4,5-dimethyl-2-methylsulfonylphenyl)ethanol (CID 117360588) is 2-amino-2-(4,5-dimethyl-2-methylsulfonylphenyl)ethanol.
What is the SMILES notation for 2-amino-2-(4,5-dimethyl-2-methylsulfonylphenyl)ethanol?
The canonical SMILES for 2-amino-2-(4,5-dimethyl-2-methylsulfonylphenyl)ethanol is Cc1cc(C(N)CO)c(S(C)(=O)=O)cc1C.
What is the InChIKey of 2-amino-2-(4,5-dimethyl-2-methylsulfonylphenyl)ethanol?
The InChIKey is GWHLKUQTEWZVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-7-4-9(10(12)6-13)11(5-8(7)2)16(3,14)15/h4-5,10,13H,6,12H2,1-3H3.
What are the key properties of 2-amino-2-(4,5-dimethyl-2-methylsulfonylphenyl)ethanol?
2-amino-2-(4,5-dimethyl-2-methylsulfonylphenyl)ethanol has a molecular weight of 243.33 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4,5-dimethyl-2-methylsulfonylphenyl)ethanol is sourced from PubChem (CID 117360588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).