1-(4-amino-3-methylsulfonylphenyl)-2-methylpropan-2-ol

C11H17NO3S — CID 116998659

IUPAC1-(4-amino-3-methylsulfonylphenyl)-2-methylpropan-2-ol
SMILESCC(C)(O)Cc1ccc(N)c(S(C)(=O)=O)c1
InChIInChI=1S/C11H17NO3S/c1-11(2,13)7-8-4-5-9(12)10(6-8)16(3,14)15/h4-6,13H,7,12H2,1-3H3
InChIKeyILGJPOSZIPJFEB-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.99
Rot. Bonds3

About 1-(4-amino-3-methylsulfonylphenyl)-2-methylpropan-2-ol

1-(4-amino-3-methylsulfonylphenyl)-2-methylpropan-2-ol (PubChem CID 116998659) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is 1-(4-amino-3-methylsulfonylphenyl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(4-amino-3-methylsulfonylphenyl)-2-methylpropan-2-ol
PubChem CID116998659
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC Name1-(4-amino-3-methylsulfonylphenyl)-2-methylpropan-2-ol
SMILESCC(C)(O)Cc1ccc(N)c(S(C)(=O)=O)c1
InChIInChI=1S/C11H17NO3S/c1-11(2,13)7-8-4-5-9(12)10(6-8)16(3,14)15/h4-6,13H,7,12H2,1-3H3
InChIKeyILGJPOSZIPJFEB-UHFFFAOYSA-N
XLogP0.99
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 ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-methylsulfonylphenyl)-2-methylpropan-2-ol?
The IUPAC name of 1-(4-amino-3-methylsulfonylphenyl)-2-methylpropan-2-ol (CID 116998659) is 1-(4-amino-3-methylsulfonylphenyl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(4-amino-3-methylsulfonylphenyl)-2-methylpropan-2-ol?
The canonical SMILES for 1-(4-amino-3-methylsulfonylphenyl)-2-methylpropan-2-ol is CC(C)(O)Cc1ccc(N)c(S(C)(=O)=O)c1.
What is the InChIKey of 1-(4-amino-3-methylsulfonylphenyl)-2-methylpropan-2-ol?
The InChIKey is ILGJPOSZIPJFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-11(2,13)7-8-4-5-9(12)10(6-8)16(3,14)15/h4-6,13H,7,12H2,1-3H3.
What are the key properties of 1-(4-amino-3-methylsulfonylphenyl)-2-methylpropan-2-ol?
1-(4-amino-3-methylsulfonylphenyl)-2-methylpropan-2-ol has a molecular weight of 243.33 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-methylsulfonylphenyl)-2-methylpropan-2-ol is sourced from PubChem (CID 116998659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).