2-methyl-1-(2-methylquinolin-6-yl)-2-methylsulfonylpropan-1-ol

C15H19NO3S — CID 115826577

IUPAC2-methyl-1-(2-methylquinolin-6-yl)-2-methylsulfonylpropan-1-ol
SMILESCc1ccc2cc(C(O)C(C)(C)S(C)(=O)=O)ccc2n1
InChIInChI=1S/C15H19NO3S/c1-10-5-6-11-9-12(7-8-13(11)16-10)14(17)15(2,3)20(4,18)19/h5-9,14,17H,1-4H3
InChIKeyAYRGYDRWLNWELJ-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.40
Rot. Bonds3

About 2-methyl-1-(2-methylquinolin-6-yl)-2-methylsulfonylpropan-1-ol

2-methyl-1-(2-methylquinolin-6-yl)-2-methylsulfonylpropan-1-ol (PubChem CID 115826577) has the molecular formula C15H19NO3S and a molecular weight of 293.39 g/mol. Its IUPAC name is 2-methyl-1-(2-methylquinolin-6-yl)-2-methylsulfonylpropan-1-ol.

Molecular Properties

Compound Name2-methyl-1-(2-methylquinolin-6-yl)-2-methylsulfonylpropan-1-ol
PubChem CID115826577
Molecular FormulaC15H19NO3S
Molecular Weight293.39 g/mol
Exact Mass293.11
IUPAC Name2-methyl-1-(2-methylquinolin-6-yl)-2-methylsulfonylpropan-1-ol
SMILESCc1ccc2cc(C(O)C(C)(C)S(C)(=O)=O)ccc2n1
InChIInChI=1S/C15H19NO3S/c1-10-5-6-11-9-12(7-8-13(11)16-10)14(17)15(2,3)20(4,18)19/h5-9,14,17H,1-4H3
InChIKeyAYRGYDRWLNWELJ-UHFFFAOYSA-N
XLogP2.40
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methylquinolin-6-yl)-2-methylsulfonylpropan-1-ol?
The IUPAC name of 2-methyl-1-(2-methylquinolin-6-yl)-2-methylsulfonylpropan-1-ol (CID 115826577) is 2-methyl-1-(2-methylquinolin-6-yl)-2-methylsulfonylpropan-1-ol.
What is the SMILES notation for 2-methyl-1-(2-methylquinolin-6-yl)-2-methylsulfonylpropan-1-ol?
The canonical SMILES for 2-methyl-1-(2-methylquinolin-6-yl)-2-methylsulfonylpropan-1-ol is Cc1ccc2cc(C(O)C(C)(C)S(C)(=O)=O)ccc2n1.
What is the InChIKey of 2-methyl-1-(2-methylquinolin-6-yl)-2-methylsulfonylpropan-1-ol?
The InChIKey is AYRGYDRWLNWELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3S/c1-10-5-6-11-9-12(7-8-13(11)16-10)14(17)15(2,3)20(4,18)19/h5-9,14,17H,1-4H3.
What are the key properties of 2-methyl-1-(2-methylquinolin-6-yl)-2-methylsulfonylpropan-1-ol?
2-methyl-1-(2-methylquinolin-6-yl)-2-methylsulfonylpropan-1-ol has a molecular weight of 293.39 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methylquinolin-6-yl)-2-methylsulfonylpropan-1-ol is sourced from PubChem (CID 115826577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).