(R)-N-[1-(4-bromo-2-methoxyphenyl)ethylidene]-2-methylpropane-2-sulfinamide

C13H18BrNO2S — CID 139531137

IUPAC(R)-N-[1-(4-bromo-2-methoxyphenyl)ethylidene]-2-methylpropane-2-sulfinamide
SMILESCOc1cc(Br)ccc1C(C)=N[S@](=O)C(C)(C)C
InChIInChI=1S/C13H18BrNO2S/c1-9(15-18(16)13(2,3)4)11-7-6-10(14)8-12(11)17-5/h6-8H,1-5H3/t18-/m1/s1
InChIKeyMNAJQBFQJCOCRE-GOSISDBHSA-N
MW332.26 g/mol
LogP3.73
Rot. Bonds3

About (R)-N-[1-(4-bromo-2-methoxyphenyl)ethylidene]-2-methylpropane-2-sulfinamide

(R)-N-[1-(4-bromo-2-methoxyphenyl)ethylidene]-2-methylpropane-2-sulfinamide (PubChem CID 139531137) has the molecular formula C13H18BrNO2S and a molecular weight of 332.26 g/mol. Its IUPAC name is (R)-N-[1-(4-bromo-2-methoxyphenyl)ethylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[1-(4-bromo-2-methoxyphenyl)ethylidene]-2-methylpropane-2-sulfinamide
PubChem CID139531137
Molecular FormulaC13H18BrNO2S
Molecular Weight332.26 g/mol
Exact Mass331.02
IUPAC Name(R)-N-[1-(4-bromo-2-methoxyphenyl)ethylidene]-2-methylpropane-2-sulfinamide
SMILESCOc1cc(Br)ccc1C(C)=N[S@](=O)C(C)(C)C
InChIInChI=1S/C13H18BrNO2S/c1-9(15-18(16)13(2,3)4)11-7-6-10(14)8-12(11)17-5/h6-8H,1-5H3/t18-/m1/s1
InChIKeyMNAJQBFQJCOCRE-GOSISDBHSA-N
XLogP3.73
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.26
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(NE,R)-N-[1-[4-bromo-2-(methoxymethoxy)phenyl]ethylidene]-2-methylpropane-2-sulfinamide
CID 170329219
(NE,R)-N-[1-(4-bromo-2-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide
CID 153436878
(R)-N-[1-(5-bromo-2-chlorophenyl)ethylidene]-2-methylpropane-2-sulfinamide
CID 118305806
(R)-N-[(4-bromo-2-methoxyphenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 172861335
N-(2-amino-2-methylpropyl)-4-bromo-2-methoxybenzamide
CID 81482472
4-bromo-2-methoxy-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 115369210
4-bromo-2-methoxy-N-(2-methylbutan-2-yl)benzamide
CID 78987462
(NZ,R)-N-[1-(4-bromothiophen-2-yl)ethylidene]-2-methylpropane-2-sulfinamide
CID 59764141
N-acetyl-4-bromo-2-methoxybenzamide
CID 115369201
4-bromo-2-methoxy-1-[(E)-1-methoxyprop-1-en-2-yl]benzene
CID 59315519
1-(4-bromo-2-methoxyphenyl)-2-(3,5-dimethylphenyl)ethanone
CID 114963290
methyl 2-(4-bromo-2-methoxybenzoyl)-3-oxobutanoate
CID 66660219

Frequently Asked Questions

What is the IUPAC name of (R)-N-[1-(4-bromo-2-methoxyphenyl)ethylidene]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[1-(4-bromo-2-methoxyphenyl)ethylidene]-2-methylpropane-2-sulfinamide (CID 139531137) is (R)-N-[1-(4-bromo-2-methoxyphenyl)ethylidene]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[1-(4-bromo-2-methoxyphenyl)ethylidene]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[1-(4-bromo-2-methoxyphenyl)ethylidene]-2-methylpropane-2-sulfinamide is COc1cc(Br)ccc1C(C)=N[S@](=O)C(C)(C)C.
What is the InChIKey of (R)-N-[1-(4-bromo-2-methoxyphenyl)ethylidene]-2-methylpropane-2-sulfinamide?
The InChIKey is MNAJQBFQJCOCRE-GOSISDBHSA-N. The full InChI is InChI=1S/C13H18BrNO2S/c1-9(15-18(16)13(2,3)4)11-7-6-10(14)8-12(11)17-5/h6-8H,1-5H3/t18-/m1/s1.
What are the key properties of (R)-N-[1-(4-bromo-2-methoxyphenyl)ethylidene]-2-methylpropane-2-sulfinamide?
(R)-N-[1-(4-bromo-2-methoxyphenyl)ethylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 332.26 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[1-(4-bromo-2-methoxyphenyl)ethylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 139531137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).