(R)-N-[1-(3-bromo-2-methylphenyl)ethylidene]-2-methylpropane-2-sulfinamide

C13H18BrNOS — CID 123770809

IUPAC(R)-N-[1-(3-bromo-2-methylphenyl)ethylidene]-2-methylpropane-2-sulfinamide
SMILESCC(=N[S@](=O)C(C)(C)C)c1cccc(Br)c1C
InChIInChI=1S/C13H18BrNOS/c1-9-11(7-6-8-12(9)14)10(2)15-17(16)13(3,4)5/h6-8H,1-5H3/t17-/m1/s1
InChIKeyBOVLETNNBOJAIQ-QGZVFWFLSA-N
MW316.26 g/mol
LogP4.03
Rot. Bonds2

About (R)-N-[1-(3-bromo-2-methylphenyl)ethylidene]-2-methylpropane-2-sulfinamide

(R)-N-[1-(3-bromo-2-methylphenyl)ethylidene]-2-methylpropane-2-sulfinamide (PubChem CID 123770809) has the molecular formula C13H18BrNOS and a molecular weight of 316.26 g/mol. Its IUPAC name is (R)-N-[1-(3-bromo-2-methylphenyl)ethylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[1-(3-bromo-2-methylphenyl)ethylidene]-2-methylpropane-2-sulfinamide
PubChem CID123770809
Molecular FormulaC13H18BrNOS
Molecular Weight316.26 g/mol
Exact Mass315.03
IUPAC Name(R)-N-[1-(3-bromo-2-methylphenyl)ethylidene]-2-methylpropane-2-sulfinamide
SMILESCC(=N[S@](=O)C(C)(C)C)c1cccc(Br)c1C
InChIInChI=1S/C13H18BrNOS/c1-9-11(7-6-8-12(9)14)10(2)15-17(16)13(3,4)5/h6-8H,1-5H3/t17-/m1/s1
InChIKeyBOVLETNNBOJAIQ-QGZVFWFLSA-N
XLogP4.03
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.26
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(NZ,R)-N-[1-(2,3-difluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide
CID 90373303
(R)-N-[1-(3-amino-2-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide
CID 152664377
(NZ,R)-N-[(2-bromophenyl)-phenylmethylidene]-2-methylpropane-2-sulfinamide;hydrate
CID 139091459
(R)-N-[1-(2-chloro-3-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide
CID 86732268
(R)-N-[1-(5-bromo-2-chlorophenyl)ethylidene]-2-methylpropane-2-sulfinamide
CID 118305806
(NZ,R)-N-[1-(2-fluoro-3-isocyanophenyl)ethylidene]-2-methylpropane-2-sulfinamide
CID 172536203
(NE,R)-N-[1-(4-bromo-2-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide
CID 153436878
(NZ)-N-[1-(4-bromo-2-chlorophenyl)ethylidene]-2-methylpropane-2-sulfinamide
CID 166458508
(R)-2-methyl-N-(1-phenylethylidene)propane-2-sulfinamide
CID 129382914
(NE,S)-2-methyl-N-(1-phenylethylidene)propane-2-sulfinamide
CID 11492289
(NZ,S)-N-[1-[3-(1,1-difluoroethylsulfonyl)-2-fluorophenyl]ethylidene]-2-methylpropane-2-sulfinamide
CID 171586356
(R)-N-[1-(4-bromo-2-methoxyphenyl)ethylidene]-2-methylpropane-2-sulfinamide
CID 139531137

Frequently Asked Questions

What is the IUPAC name of (R)-N-[1-(3-bromo-2-methylphenyl)ethylidene]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[1-(3-bromo-2-methylphenyl)ethylidene]-2-methylpropane-2-sulfinamide (CID 123770809) is (R)-N-[1-(3-bromo-2-methylphenyl)ethylidene]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[1-(3-bromo-2-methylphenyl)ethylidene]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[1-(3-bromo-2-methylphenyl)ethylidene]-2-methylpropane-2-sulfinamide is CC(=N[S@](=O)C(C)(C)C)c1cccc(Br)c1C.
What is the InChIKey of (R)-N-[1-(3-bromo-2-methylphenyl)ethylidene]-2-methylpropane-2-sulfinamide?
The InChIKey is BOVLETNNBOJAIQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C13H18BrNOS/c1-9-11(7-6-8-12(9)14)10(2)15-17(16)13(3,4)5/h6-8H,1-5H3/t17-/m1/s1.
What are the key properties of (R)-N-[1-(3-bromo-2-methylphenyl)ethylidene]-2-methylpropane-2-sulfinamide?
(R)-N-[1-(3-bromo-2-methylphenyl)ethylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 316.26 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[1-(3-bromo-2-methylphenyl)ethylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 123770809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).