[3-(tert-butylsulfonimidoyl)phenyl]methanol

C11H17NO2S — CID 177053209

IUPAC[3-(tert-butylsulfonimidoyl)phenyl]methanol
SMILES[H]N=[S@@](=O)(c1cccc(CO)c1)C(C)(C)C
InChIInChI=1S/C11H17NO2S/c1-11(2,3)15(12,14)10-6-4-5-9(7-10)8-13/h4-7,12-13H,8H2,1-3H3/t15-/m1/s1
InChIKeyXDQQQABHLNRMRD-OAHLLOKOSA-N
MW227.33 g/mol
LogP2.38
Rot. Bonds2

About [3-(tert-butylsulfonimidoyl)phenyl]methanol

[3-(tert-butylsulfonimidoyl)phenyl]methanol (PubChem CID 177053209) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is [3-(tert-butylsulfonimidoyl)phenyl]methanol.

Molecular Properties

Compound Name[3-(tert-butylsulfonimidoyl)phenyl]methanol
PubChem CID177053209
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Name[3-(tert-butylsulfonimidoyl)phenyl]methanol
SMILES[H]N=[S@@](=O)(c1cccc(CO)c1)C(C)(C)C
InChIInChI=1S/C11H17NO2S/c1-11(2,3)15(12,14)10-6-4-5-9(7-10)8-13/h4-7,12-13H,8H2,1-3H3/t15-/m1/s1
InChIKeyXDQQQABHLNRMRD-OAHLLOKOSA-N
XLogP2.38
TPSA61.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 23133799
3-[3-(hydroxymethyl)phenyl]sulfonylbenzoic acid
CID 154157904
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CID 166779231
[3-(2,2-dimethylpropyl)phenyl]methanol
CID 23381572
3-[3-(hydroxymethyl)phenyl]sulfonylbenzonitrile
CID 68571468
3-(hydroxymethyl)-N-(1-methylcyclobutyl)benzenesulfonamide
CID 113486170
3-(tert-butylsulfonylmethyl)benzenesulfonyl chloride
CID 63995083
2-(3-methylsulfonylphenyl)ethanol
CID 68870168
[3-(3,4-dimethoxypyrrolidin-1-yl)sulfonylphenyl]methanol
CID 103541145
N-(3-chloro-2-methylphenyl)-3-(hydroxymethyl)benzenesulfonamide
CID 107318048
(2R)-3-(3-tert-butylsulfonylphenyl)-2-methylpropanoic acid
CID 70069669
N-(3-ethylsulfanylpropyl)-3-(hydroxymethyl)benzenesulfonamide
CID 114248709

Frequently Asked Questions

What is the IUPAC name of [3-(tert-butylsulfonimidoyl)phenyl]methanol?
The IUPAC name of [3-(tert-butylsulfonimidoyl)phenyl]methanol (CID 177053209) is [3-(tert-butylsulfonimidoyl)phenyl]methanol.
What is the SMILES notation for [3-(tert-butylsulfonimidoyl)phenyl]methanol?
The canonical SMILES for [3-(tert-butylsulfonimidoyl)phenyl]methanol is [H]N=[S@@](=O)(c1cccc(CO)c1)C(C)(C)C.
What is the InChIKey of [3-(tert-butylsulfonimidoyl)phenyl]methanol?
The InChIKey is XDQQQABHLNRMRD-OAHLLOKOSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-11(2,3)15(12,14)10-6-4-5-9(7-10)8-13/h4-7,12-13H,8H2,1-3H3/t15-/m1/s1.
What are the key properties of [3-(tert-butylsulfonimidoyl)phenyl]methanol?
[3-(tert-butylsulfonimidoyl)phenyl]methanol has a molecular weight of 227.33 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(tert-butylsulfonimidoyl)phenyl]methanol is sourced from PubChem (CID 177053209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).