4-(3-amino-2,2-dimethylpropyl)sulfonylphenol

C11H17NO3S — CID 115045071

IUPAC4-(3-amino-2,2-dimethylpropyl)sulfonylphenol
SMILESCC(C)(CN)CS(=O)(=O)c1ccc(O)cc1
InChIInChI=1S/C11H17NO3S/c1-11(2,7-12)8-16(14,15)10-5-3-9(13)4-6-10/h3-6,13H,7-8,12H2,1-2H3
InChIKeyUTHOYIABUXGCEB-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.15
Rot. Bonds4

About 4-(3-amino-2,2-dimethylpropyl)sulfonylphenol

4-(3-amino-2,2-dimethylpropyl)sulfonylphenol (PubChem CID 115045071) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is 4-(3-amino-2,2-dimethylpropyl)sulfonylphenol.

Molecular Properties

Compound Name4-(3-amino-2,2-dimethylpropyl)sulfonylphenol
PubChem CID115045071
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC Name4-(3-amino-2,2-dimethylpropyl)sulfonylphenol
SMILESCC(C)(CN)CS(=O)(=O)c1ccc(O)cc1
InChIInChI=1S/C11H17NO3S/c1-11(2,7-12)8-16(14,15)10-5-3-9(13)4-6-10/h3-6,13H,7-8,12H2,1-2H3
InChIKeyUTHOYIABUXGCEB-UHFFFAOYSA-N
XLogP1.15
TPSA80.39 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 ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-2,2-dimethylpropyl)sulfonylphenol?
The IUPAC name of 4-(3-amino-2,2-dimethylpropyl)sulfonylphenol (CID 115045071) is 4-(3-amino-2,2-dimethylpropyl)sulfonylphenol.
What is the SMILES notation for 4-(3-amino-2,2-dimethylpropyl)sulfonylphenol?
The canonical SMILES for 4-(3-amino-2,2-dimethylpropyl)sulfonylphenol is CC(C)(CN)CS(=O)(=O)c1ccc(O)cc1.
What is the InChIKey of 4-(3-amino-2,2-dimethylpropyl)sulfonylphenol?
The InChIKey is UTHOYIABUXGCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-11(2,7-12)8-16(14,15)10-5-3-9(13)4-6-10/h3-6,13H,7-8,12H2,1-2H3.
What are the key properties of 4-(3-amino-2,2-dimethylpropyl)sulfonylphenol?
4-(3-amino-2,2-dimethylpropyl)sulfonylphenol has a molecular weight of 243.33 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-2,2-dimethylpropyl)sulfonylphenol is sourced from PubChem (CID 115045071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).