1-amino-2-(4-methylsulfonylphenyl)propan-2-ol

C10H15NO3S — CID 62773186

IUPAC1-amino-2-(4-methylsulfonylphenyl)propan-2-ol
SMILESCC(O)(CN)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C10H15NO3S/c1-10(12,7-11)8-3-5-9(6-4-8)15(2,13)14/h3-6,12H,7,11H2,1-2H3
InChIKeyIUYNVFZTTJLPCA-UHFFFAOYSA-N
MW229.30 g/mol
LogP0.26
Rot. Bonds3

About 1-amino-2-(4-methylsulfonylphenyl)propan-2-ol

1-amino-2-(4-methylsulfonylphenyl)propan-2-ol (PubChem CID 62773186) has the molecular formula C10H15NO3S and a molecular weight of 229.30 g/mol. Its IUPAC name is 1-amino-2-(4-methylsulfonylphenyl)propan-2-ol.

Molecular Properties

Compound Name1-amino-2-(4-methylsulfonylphenyl)propan-2-ol
PubChem CID62773186
Molecular FormulaC10H15NO3S
Molecular Weight229.30 g/mol
Exact Mass229.08
IUPAC Name1-amino-2-(4-methylsulfonylphenyl)propan-2-ol
SMILESCC(O)(CN)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C10H15NO3S/c1-10(12,7-11)8-3-5-9(6-4-8)15(2,13)14/h3-6,12H,7,11H2,1-2H3
InChIKeyIUYNVFZTTJLPCA-UHFFFAOYSA-N
XLogP0.26
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-tert-butyl-4-methylsulfonylbenzene;ethane
CID 144874881
N'-[2-methyl-2-(4-methylsulfonylphenyl)propyl]methanediamine
CID 115226420
3-amino-3-(4-methylsulfonylphenyl)butanoic acid
CID 64664945
1-(1,1-difluoroethyl)-4-methylsulfonylbenzene
CID 116841572
1-amino-2-[4-(trifluoromethyl)phenyl]propan-2-ol
CID 62774941
1-amino-2-(4-bromophenyl)propan-2-ol
CID 19424694
2-methyl-1-(4-methylsulfonylphenyl)propan-2-ol
CID 19066239
2-[4-(4-methylsulfonylphenyl)sulfonylphenyl]-1-(1,2,4-triazol-4-yl)propan-2-ol
CID 57262376
1-amino-2-(4-chlorophenyl)propan-2-ol;hydrochloride
CID 17039441
1-amino-2-phenylpropan-2-ol;hydrochloride
CID 17039439
2-(4-methylsulfonylphenyl)-1-[[(1R)-1-phenylethyl]amino]propan-2-ol
CID 75517353
2,2,2-tris(4-methylsulfonylphenyl)acetaldehyde
CID 150870530

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(4-methylsulfonylphenyl)propan-2-ol?
The IUPAC name of 1-amino-2-(4-methylsulfonylphenyl)propan-2-ol (CID 62773186) is 1-amino-2-(4-methylsulfonylphenyl)propan-2-ol.
What is the SMILES notation for 1-amino-2-(4-methylsulfonylphenyl)propan-2-ol?
The canonical SMILES for 1-amino-2-(4-methylsulfonylphenyl)propan-2-ol is CC(O)(CN)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 1-amino-2-(4-methylsulfonylphenyl)propan-2-ol?
The InChIKey is IUYNVFZTTJLPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3S/c1-10(12,7-11)8-3-5-9(6-4-8)15(2,13)14/h3-6,12H,7,11H2,1-2H3.
What are the key properties of 1-amino-2-(4-methylsulfonylphenyl)propan-2-ol?
1-amino-2-(4-methylsulfonylphenyl)propan-2-ol has a molecular weight of 229.30 g/mol, XLogP of 0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(4-methylsulfonylphenyl)propan-2-ol is sourced from PubChem (CID 62773186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).