4-(3-amino-2-methylbutan-2-yl)sulfonylphenol

C11H17NO3S — CID 115045054

IUPAC4-(3-amino-2-methylbutan-2-yl)sulfonylphenol
SMILESCC(N)C(C)(C)S(=O)(=O)c1ccc(O)cc1
InChIInChI=1S/C11H17NO3S/c1-8(12)11(2,3)16(14,15)10-6-4-9(13)5-7-10/h4-8,13H,12H2,1-3H3
InChIKeyNNJACPIVEJPNGG-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.29
Rot. Bonds3

About 4-(3-amino-2-methylbutan-2-yl)sulfonylphenol

4-(3-amino-2-methylbutan-2-yl)sulfonylphenol (PubChem CID 115045054) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is 4-(3-amino-2-methylbutan-2-yl)sulfonylphenol.

Molecular Properties

Compound Name4-(3-amino-2-methylbutan-2-yl)sulfonylphenol
PubChem CID115045054
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC Name4-(3-amino-2-methylbutan-2-yl)sulfonylphenol
SMILESCC(N)C(C)(C)S(=O)(=O)c1ccc(O)cc1
InChIInChI=1S/C11H17NO3S/c1-8(12)11(2,3)16(14,15)10-6-4-9(13)5-7-10/h4-8,13H,12H2,1-3H3
InChIKeyNNJACPIVEJPNGG-UHFFFAOYSA-N
XLogP1.29
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 ≤ 51.29
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-methylbutan-2-yl)sulfonylphenol?
The IUPAC name of 4-(3-amino-2-methylbutan-2-yl)sulfonylphenol (CID 115045054) is 4-(3-amino-2-methylbutan-2-yl)sulfonylphenol.
What is the SMILES notation for 4-(3-amino-2-methylbutan-2-yl)sulfonylphenol?
The canonical SMILES for 4-(3-amino-2-methylbutan-2-yl)sulfonylphenol is CC(N)C(C)(C)S(=O)(=O)c1ccc(O)cc1.
What is the InChIKey of 4-(3-amino-2-methylbutan-2-yl)sulfonylphenol?
The InChIKey is NNJACPIVEJPNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-8(12)11(2,3)16(14,15)10-6-4-9(13)5-7-10/h4-8,13H,12H2,1-3H3.
What are the key properties of 4-(3-amino-2-methylbutan-2-yl)sulfonylphenol?
4-(3-amino-2-methylbutan-2-yl)sulfonylphenol has a molecular weight of 243.33 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-2-methylbutan-2-yl)sulfonylphenol is sourced from PubChem (CID 115045054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).