2-amino-1-(2,4,6-trimethylphenyl)sulfonylethanol

C11H17NO3S — CID 117037386

IUPAC2-amino-1-(2,4,6-trimethylphenyl)sulfonylethanol
SMILESCc1cc(C)c(S(=O)(=O)C(O)CN)c(C)c1
InChIInChI=1S/C11H17NO3S/c1-7-4-8(2)11(9(3)5-7)16(14,15)10(13)6-12/h4-5,10,13H,6,12H2,1-3H3
InChIKeyWTOVSFSYWPVPJI-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.66
Rot. Bonds3

About 2-amino-1-(2,4,6-trimethylphenyl)sulfonylethanol

2-amino-1-(2,4,6-trimethylphenyl)sulfonylethanol (PubChem CID 117037386) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is 2-amino-1-(2,4,6-trimethylphenyl)sulfonylethanol.

Molecular Properties

Compound Name2-amino-1-(2,4,6-trimethylphenyl)sulfonylethanol
PubChem CID117037386
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC Name2-amino-1-(2,4,6-trimethylphenyl)sulfonylethanol
SMILESCc1cc(C)c(S(=O)(=O)C(O)CN)c(C)c1
InChIInChI=1S/C11H17NO3S/c1-7-4-8(2)11(9(3)5-7)16(14,15)10(13)6-12/h4-5,10,13H,6,12H2,1-3H3
InChIKeyWTOVSFSYWPVPJI-UHFFFAOYSA-N
XLogP0.66
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 ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2,4,6-trimethylphenyl)sulfonylethanol?
The IUPAC name of 2-amino-1-(2,4,6-trimethylphenyl)sulfonylethanol (CID 117037386) is 2-amino-1-(2,4,6-trimethylphenyl)sulfonylethanol.
What is the SMILES notation for 2-amino-1-(2,4,6-trimethylphenyl)sulfonylethanol?
The canonical SMILES for 2-amino-1-(2,4,6-trimethylphenyl)sulfonylethanol is Cc1cc(C)c(S(=O)(=O)C(O)CN)c(C)c1.
What is the InChIKey of 2-amino-1-(2,4,6-trimethylphenyl)sulfonylethanol?
The InChIKey is WTOVSFSYWPVPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-7-4-8(2)11(9(3)5-7)16(14,15)10(13)6-12/h4-5,10,13H,6,12H2,1-3H3.
What are the key properties of 2-amino-1-(2,4,6-trimethylphenyl)sulfonylethanol?
2-amino-1-(2,4,6-trimethylphenyl)sulfonylethanol has a molecular weight of 243.33 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2,4,6-trimethylphenyl)sulfonylethanol is sourced from PubChem (CID 117037386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).