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

C12H16BrNO2S — CID 172861335

IUPAC(R)-N-[(4-bromo-2-methoxyphenyl)methylidene]-2-methylpropane-2-sulfinamide
SMILESCOc1cc(Br)ccc1C=N[S@](=O)C(C)(C)C
InChIInChI=1S/C12H16BrNO2S/c1-12(2,3)17(15)14-8-9-5-6-10(13)7-11(9)16-4/h5-8H,1-4H3/t17-/m1/s1
InChIKeyZJXCCZXGASLVPB-QGZVFWFLSA-N
MW318.24 g/mol
LogP3.34
Rot. Bonds3

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

(R)-N-[(4-bromo-2-methoxyphenyl)methylidene]-2-methylpropane-2-sulfinamide (PubChem CID 172861335) has the molecular formula C12H16BrNO2S and a molecular weight of 318.24 g/mol. Its IUPAC name is (R)-N-[(4-bromo-2-methoxyphenyl)methylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(4-bromo-2-methoxyphenyl)methylidene]-2-methylpropane-2-sulfinamide
PubChem CID172861335
Molecular FormulaC12H16BrNO2S
Molecular Weight318.24 g/mol
Exact Mass317.01
IUPAC Name(R)-N-[(4-bromo-2-methoxyphenyl)methylidene]-2-methylpropane-2-sulfinamide
SMILESCOc1cc(Br)ccc1C=N[S@](=O)C(C)(C)C
InChIInChI=1S/C12H16BrNO2S/c1-12(2,3)17(15)14-8-9-5-6-10(13)7-11(9)16-4/h5-8H,1-4H3/t17-/m1/s1
InChIKeyZJXCCZXGASLVPB-QGZVFWFLSA-N
XLogP3.34
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.24
LogP ≤ 53.34
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

(R)-N-[[2-methoxy-4-(trifluoromethyl)phenyl]methylidene]-2-methylpropane-2-sulfinamide
CID 167530942
(R)-N-[(2-methoxyphenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 131864709
(S)-N-[(5-bromo-2-methylphenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 167530715
(S)-N-[(4,5-difluoro-2-methoxyphenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 150591949
(S)-N-[(5-bromo-2-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 167530717
N-[(5-bromo-2-iodophenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 171337597
(S)-N-[(5-chloro-2-methoxyphenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 150204962
N-[(2-chloro-4-methoxyphenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 171337611
4-bromo-2-methoxythiobenzaldehyde
CID 22622289
(R)-N-[1-(4-bromo-2-methoxyphenyl)ethylidene]-2-methylpropane-2-sulfinamide
CID 139531137
(NE)-2-methyl-N-[(2,4,6-trimethoxyphenyl)methylidene]propane-2-sulfinamide
CID 135023920
(R)-N-[(2-bromo-4-chlorophenyl)methylidene]-2-methylpropane-2-sulfinamide;sulfane
CID 160531768

Frequently Asked Questions

What is the IUPAC name of (R)-N-[(4-bromo-2-methoxyphenyl)methylidene]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(4-bromo-2-methoxyphenyl)methylidene]-2-methylpropane-2-sulfinamide (CID 172861335) is (R)-N-[(4-bromo-2-methoxyphenyl)methylidene]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(4-bromo-2-methoxyphenyl)methylidene]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(4-bromo-2-methoxyphenyl)methylidene]-2-methylpropane-2-sulfinamide is COc1cc(Br)ccc1C=N[S@](=O)C(C)(C)C.
What is the InChIKey of (R)-N-[(4-bromo-2-methoxyphenyl)methylidene]-2-methylpropane-2-sulfinamide?
The InChIKey is ZJXCCZXGASLVPB-QGZVFWFLSA-N. The full InChI is InChI=1S/C12H16BrNO2S/c1-12(2,3)17(15)14-8-9-5-6-10(13)7-11(9)16-4/h5-8H,1-4H3/t17-/m1/s1.
What are the key properties of (R)-N-[(4-bromo-2-methoxyphenyl)methylidene]-2-methylpropane-2-sulfinamide?
(R)-N-[(4-bromo-2-methoxyphenyl)methylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 318.24 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(4-bromo-2-methoxyphenyl)methylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 172861335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).