(NE)-N-[(2-bromo-6-hydroxyphenyl)methylidene]-2-methylpropane-2-sulfinamide

C11H14BrNO2S — CID 167527143

IUPAC(NE)-N-[(2-bromo-6-hydroxyphenyl)methylidene]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)/N=C/c1c(O)cccc1Br
InChIInChI=1S/C11H14BrNO2S/c1-11(2,3)16(15)13-7-8-9(12)5-4-6-10(8)14/h4-7,14H,1-3H3/b13-7+
InChIKeyGZZGHEQYSATVFB-NTUHNPAUSA-N
MW304.21 g/mol
LogP3.04
Rot. Bonds2

About (NE)-N-[(2-bromo-6-hydroxyphenyl)methylidene]-2-methylpropane-2-sulfinamide

(NE)-N-[(2-bromo-6-hydroxyphenyl)methylidene]-2-methylpropane-2-sulfinamide (PubChem CID 167527143) has the molecular formula C11H14BrNO2S and a molecular weight of 304.21 g/mol. Its IUPAC name is (NE)-N-[(2-bromo-6-hydroxyphenyl)methylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(NE)-N-[(2-bromo-6-hydroxyphenyl)methylidene]-2-methylpropane-2-sulfinamide
PubChem CID167527143
Molecular FormulaC11H14BrNO2S
Molecular Weight304.21 g/mol
Exact Mass302.99
IUPAC Name(NE)-N-[(2-bromo-6-hydroxyphenyl)methylidene]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)/N=C/c1c(O)cccc1Br
InChIInChI=1S/C11H14BrNO2S/c1-11(2,3)16(15)13-7-8-9(12)5-4-6-10(8)14/h4-7,14H,1-3H3/b13-7+
InChIKeyGZZGHEQYSATVFB-NTUHNPAUSA-N
XLogP3.04
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.21
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (NE)-N-[(2-bromo-6-hydroxyphenyl)methylidene]-2-methylpropane-2-sulfinamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-bromo-6-hydroxyphenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 172724895
(NE)-N-[(2,6-dimethylphenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 87750973
N-[(3-bromo-2-chlorophenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 171337602
(S)-N-[(3-bromo-2-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 167530745
(NE,R)-N-[(2,3-dichloro-6-hydroxyphenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 137247694
N-[(2,6-difluorophenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 123786002
N-[(2-chloro-6-methylphenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 171337628
N-[(4-hydroxyphenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 136614195
(NE,R)-N-[(2-bromo-3-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 168987790
(R)-N-[(2-bromo-5-methylphenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 167530767
(NE,R)-N-[(8-bromo-2-chloroquinolin-3-yl)methylidene]-2-methylpropane-2-sulfinamide
CID 87146580
(NE,R)-N-[[2-bromo-4-(trifluoromethyl)phenyl]methylidene]-2-methylpropane-2-sulfinamide
CID 171666358

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(2-bromo-6-hydroxyphenyl)methylidene]-2-methylpropane-2-sulfinamide?
The IUPAC name of (NE)-N-[(2-bromo-6-hydroxyphenyl)methylidene]-2-methylpropane-2-sulfinamide (CID 167527143) is (NE)-N-[(2-bromo-6-hydroxyphenyl)methylidene]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (NE)-N-[(2-bromo-6-hydroxyphenyl)methylidene]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (NE)-N-[(2-bromo-6-hydroxyphenyl)methylidene]-2-methylpropane-2-sulfinamide is CC(C)(C)S(=O)/N=C/c1c(O)cccc1Br.
What is the InChIKey of (NE)-N-[(2-bromo-6-hydroxyphenyl)methylidene]-2-methylpropane-2-sulfinamide?
The InChIKey is GZZGHEQYSATVFB-NTUHNPAUSA-N. The full InChI is InChI=1S/C11H14BrNO2S/c1-11(2,3)16(15)13-7-8-9(12)5-4-6-10(8)14/h4-7,14H,1-3H3/b13-7+.
What are the key properties of (NE)-N-[(2-bromo-6-hydroxyphenyl)methylidene]-2-methylpropane-2-sulfinamide?
(NE)-N-[(2-bromo-6-hydroxyphenyl)methylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 304.21 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(2-bromo-6-hydroxyphenyl)methylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 167527143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).