2-methyl-1-(N-methyl-S-phenylsulfonimidoyl)propan-2-ol

C11H17NO2S — CID 25037771

IUPAC2-methyl-1-(N-methyl-S-phenylsulfonimidoyl)propan-2-ol
SMILESCN=[S@](=O)(CC(C)(C)O)c1ccccc1
InChIInChI=1S/C11H17NO2S/c1-11(2,13)9-15(14,12-3)10-7-5-4-6-8-10/h4-8,13H,9H2,1-3H3/t15-/m0/s1
InChIKeyQXEVXIJPLGXBPX-HNNXBMFYSA-N
MW227.33 g/mol
LogP1.91
Rot. Bonds3

About 2-methyl-1-(N-methyl-S-phenylsulfonimidoyl)propan-2-ol

2-methyl-1-(N-methyl-S-phenylsulfonimidoyl)propan-2-ol (PubChem CID 25037771) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is 2-methyl-1-(N-methyl-S-phenylsulfonimidoyl)propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-(N-methyl-S-phenylsulfonimidoyl)propan-2-ol
PubChem CID25037771
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Name2-methyl-1-(N-methyl-S-phenylsulfonimidoyl)propan-2-ol
SMILESCN=[S@](=O)(CC(C)(C)O)c1ccccc1
InChIInChI=1S/C11H17NO2S/c1-11(2,13)9-15(14,12-3)10-7-5-4-6-8-10/h4-8,13H,9H2,1-3H3/t15-/m0/s1
InChIKeyQXEVXIJPLGXBPX-HNNXBMFYSA-N
XLogP1.91
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(N-methyl-S-phenylsulfonimidoyl)-2,3-diphenylpropan-2-ol
CID 25041032
fluoromethyl-methylimino-oxo-phenyl-lambda6-sulfane
CID 14117219
[(E)-4,4-dimethylpent-2-enyl]-methylimino-oxo-phenyl-λ6-sulfane
CID 101351722
1-(benzenesulfonyl)-2-methylpropan-2-ol;benzoic acid
CID 71349270
methylimino-oxo-phenyl-[(Z)-2-phenylbut-2-enyl]-λ6-sulfane
CID 10493393
[(Z)-2-ethylbut-2-enyl]-methylimino-oxo-phenyl-λ6-sulfane
CID 10823803
methyl-methylimino-oxo-phenyl-lambda6-sulfane
CID 519772
2-methyl-1-(3-phenylpropylsulfonyl)propan-2-ol
CID 111435451
N-(1,2-dihydroxypropan-2-yl)benzenesulfonamide
CID 172624828
1-amino-2-(benzenesulfonyl)-3,3-dimethylbutan-2-ol
CID 54149035
[(E)-3-cyclohexylprop-2-enyl]-methylimino-oxo-phenyl-λ6-sulfane
CID 10683958
4-(2-hydroxy-2-methylpropyl)sulfonylphenol
CID 111435442

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(N-methyl-S-phenylsulfonimidoyl)propan-2-ol?
The IUPAC name of 2-methyl-1-(N-methyl-S-phenylsulfonimidoyl)propan-2-ol (CID 25037771) is 2-methyl-1-(N-methyl-S-phenylsulfonimidoyl)propan-2-ol.
What is the SMILES notation for 2-methyl-1-(N-methyl-S-phenylsulfonimidoyl)propan-2-ol?
The canonical SMILES for 2-methyl-1-(N-methyl-S-phenylsulfonimidoyl)propan-2-ol is CN=[S@](=O)(CC(C)(C)O)c1ccccc1.
What is the InChIKey of 2-methyl-1-(N-methyl-S-phenylsulfonimidoyl)propan-2-ol?
The InChIKey is QXEVXIJPLGXBPX-HNNXBMFYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-11(2,13)9-15(14,12-3)10-7-5-4-6-8-10/h4-8,13H,9H2,1-3H3/t15-/m0/s1.
What are the key properties of 2-methyl-1-(N-methyl-S-phenylsulfonimidoyl)propan-2-ol?
2-methyl-1-(N-methyl-S-phenylsulfonimidoyl)propan-2-ol has a molecular weight of 227.33 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(N-methyl-S-phenylsulfonimidoyl)propan-2-ol is sourced from PubChem (CID 25037771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).