N-[(4-hydroxyphenyl)methylidene]-2-methylpropane-2-sulfinamide

C11H15NO2S — CID 136614195

IUPACN-[(4-hydroxyphenyl)methylidene]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)N=Cc1ccc(O)cc1
InChIInChI=1S/C11H15NO2S/c1-11(2,3)15(14)12-8-9-4-6-10(13)7-5-9/h4-8,13H,1-3H3
InChIKeyPXCYFLQRYLNJAT-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.27
Rot. Bonds2

About N-[(4-hydroxyphenyl)methylidene]-2-methylpropane-2-sulfinamide

N-[(4-hydroxyphenyl)methylidene]-2-methylpropane-2-sulfinamide (PubChem CID 136614195) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is N-[(4-hydroxyphenyl)methylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[(4-hydroxyphenyl)methylidene]-2-methylpropane-2-sulfinamide
PubChem CID136614195
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC NameN-[(4-hydroxyphenyl)methylidene]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)N=Cc1ccc(O)cc1
InChIInChI=1S/C11H15NO2S/c1-11(2,3)15(14)12-8-9-4-6-10(13)7-5-9/h4-8,13H,1-3H3
InChIKeyPXCYFLQRYLNJAT-UHFFFAOYSA-N
XLogP2.27
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(NE)-N-[(4-methoxyphenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 11557754
(NE,R)-2-methyl-N-[(4-propan-2-ylphenyl)methylidene]propane-2-sulfinamide
CID 155662872
(NE,R)-2-methyl-N-[(4-nitrophenyl)methylidene]propane-2-sulfinamide
CID 11207533
(R)-2-methyl-N-[[4-(4-methylphenoxy)phenyl]methylidene]propane-2-sulfinamide
CID 151898309
(R)-N-[(3,4-dichlorophenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 67122775
(NE,R)-2-methyl-N-[(3-methylphenyl)methylidene]propane-2-sulfinamide
CID 155662866
(NE,S)-N-[(6-bromo-3-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide
CID 163337448
(NE,S)-N-[(4-bromo-3-methylphenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 171666329
(NE,R)-2-methyl-N-[(4-pyrimidin-5-yloxyphenyl)methylidene]propane-2-sulfinamide
CID 89479374
(R)-N-[(3-chloro-4-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 98010149
(R)-N-[(4-chloro-3-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 71033001
(R)-N-[(4-bromo-3-chlorophenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 167530704

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyphenyl)methylidene]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[(4-hydroxyphenyl)methylidene]-2-methylpropane-2-sulfinamide (CID 136614195) is N-[(4-hydroxyphenyl)methylidene]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[(4-hydroxyphenyl)methylidene]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[(4-hydroxyphenyl)methylidene]-2-methylpropane-2-sulfinamide is CC(C)(C)S(=O)N=Cc1ccc(O)cc1.
What is the InChIKey of N-[(4-hydroxyphenyl)methylidene]-2-methylpropane-2-sulfinamide?
The InChIKey is PXCYFLQRYLNJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-11(2,3)15(14)12-8-9-4-6-10(13)7-5-9/h4-8,13H,1-3H3.
What are the key properties of N-[(4-hydroxyphenyl)methylidene]-2-methylpropane-2-sulfinamide?
N-[(4-hydroxyphenyl)methylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 225.31 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyphenyl)methylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 136614195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).