(2S)-1-(2,4-dimethylphenyl)sulfonylpropan-2-ol

C11H16O3S — CID 124624181

IUPAC(2S)-1-(2,4-dimethylphenyl)sulfonylpropan-2-ol
SMILESCc1ccc(S(=O)(=O)C[C@H](C)O)c(C)c1
InChIInChI=1S/C11H16O3S/c1-8-4-5-11(9(2)6-8)15(13,14)7-10(3)12/h4-6,10,12H,7H2,1-3H3/t10-/m0/s1
InChIKeyXADIAYHVWXVJAJ-JTQLQIEISA-N
MW228.31 g/mol
LogP1.46
Rot. Bonds3

About (2S)-1-(2,4-dimethylphenyl)sulfonylpropan-2-ol

(2S)-1-(2,4-dimethylphenyl)sulfonylpropan-2-ol (PubChem CID 124624181) has the molecular formula C11H16O3S and a molecular weight of 228.31 g/mol. Its IUPAC name is (2S)-1-(2,4-dimethylphenyl)sulfonylpropan-2-ol.

Molecular Properties

Compound Name(2S)-1-(2,4-dimethylphenyl)sulfonylpropan-2-ol
PubChem CID124624181
Molecular FormulaC11H16O3S
Molecular Weight228.31 g/mol
Exact Mass228.08
IUPAC Name(2S)-1-(2,4-dimethylphenyl)sulfonylpropan-2-ol
SMILESCc1ccc(S(=O)(=O)C[C@H](C)O)c(C)c1
InChIInChI=1S/C11H16O3S/c1-8-4-5-11(9(2)6-8)15(13,14)7-10(3)12/h4-6,10,12H,7H2,1-3H3/t10-/m0/s1
InChIKeyXADIAYHVWXVJAJ-JTQLQIEISA-N
XLogP1.46
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.31
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-amino-4-methylphenyl)sulfonylpropan-2-ol
CID 107889485
2-(2,4-dimethylphenyl)sulfonylethanethiol
CID 117036897
methyl 2-acetamido-3-(2,4-dimethylphenyl)sulfonylpropanoate
CID 65442838
2-(2,4-dimethylphenyl)sulfonyl-3-methylbutan-1-ol
CID 117037707
1-(2-amino-4-fluorophenyl)sulfonylpropan-2-ol
CID 107889509
N-(4-hydroxy-2-methylbutyl)-2,4-dimethylbenzenesulfonamide
CID 66109314
3-(2,4-dimethylphenyl)sulfonylpropanenitrile
CID 28753115
1-(diiodomethylsulfonyl)-2,4-dimethylbenzene
CID 21439611
2,4-dimethyl-N-(3-methylbutyl)benzenesulfonamide
CID 19681816
3-[(2,4-dimethylphenyl)sulfonylmethyl]azetidine
CID 117032073
N-(1-chloropropan-2-yl)-N,2,4-trimethylbenzenesulfonamide
CID 104556527
N-(2-aminopropyl)-N,2,4-trimethylbenzenesulfonamide
CID 63766579

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2,4-dimethylphenyl)sulfonylpropan-2-ol?
The IUPAC name of (2S)-1-(2,4-dimethylphenyl)sulfonylpropan-2-ol (CID 124624181) is (2S)-1-(2,4-dimethylphenyl)sulfonylpropan-2-ol.
What is the SMILES notation for (2S)-1-(2,4-dimethylphenyl)sulfonylpropan-2-ol?
The canonical SMILES for (2S)-1-(2,4-dimethylphenyl)sulfonylpropan-2-ol is Cc1ccc(S(=O)(=O)C[C@H](C)O)c(C)c1.
What is the InChIKey of (2S)-1-(2,4-dimethylphenyl)sulfonylpropan-2-ol?
The InChIKey is XADIAYHVWXVJAJ-JTQLQIEISA-N. The full InChI is InChI=1S/C11H16O3S/c1-8-4-5-11(9(2)6-8)15(13,14)7-10(3)12/h4-6,10,12H,7H2,1-3H3/t10-/m0/s1.
What are the key properties of (2S)-1-(2,4-dimethylphenyl)sulfonylpropan-2-ol?
(2S)-1-(2,4-dimethylphenyl)sulfonylpropan-2-ol has a molecular weight of 228.31 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2,4-dimethylphenyl)sulfonylpropan-2-ol is sourced from PubChem (CID 124624181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).