(S)-N-[(5-bromo-2-morpholin-4-ylphenyl)methylidene]-2-methylpropane-2-sulfinamide

C15H21BrN2O2S — CID 165059947

IUPAC(S)-N-[(5-bromo-2-morpholin-4-ylphenyl)methylidene]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@](=O)N=Cc1cc(Br)ccc1N1CCOCC1
InChIInChI=1S/C15H21BrN2O2S/c1-15(2,3)21(19)17-11-12-10-13(16)4-5-14(12)18-6-8-20-9-7-18/h4-5,10-11H,6-9H2,1-3H3/t21-/m0/s1
InChIKeyRAPGRBRJSZGRGV-NRFANRHFSA-N
MW373.32 g/mol
LogP3.17
Rot. Bonds3

About (S)-N-[(5-bromo-2-morpholin-4-ylphenyl)methylidene]-2-methylpropane-2-sulfinamide

(S)-N-[(5-bromo-2-morpholin-4-ylphenyl)methylidene]-2-methylpropane-2-sulfinamide (PubChem CID 165059947) has the molecular formula C15H21BrN2O2S and a molecular weight of 373.32 g/mol. Its IUPAC name is (S)-N-[(5-bromo-2-morpholin-4-ylphenyl)methylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(S)-N-[(5-bromo-2-morpholin-4-ylphenyl)methylidene]-2-methylpropane-2-sulfinamide
PubChem CID165059947
Molecular FormulaC15H21BrN2O2S
Molecular Weight373.32 g/mol
Exact Mass372.05
IUPAC Name(S)-N-[(5-bromo-2-morpholin-4-ylphenyl)methylidene]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@](=O)N=Cc1cc(Br)ccc1N1CCOCC1
InChIInChI=1S/C15H21BrN2O2S/c1-15(2,3)21(19)17-11-12-10-13(16)4-5-14(12)18-6-8-20-9-7-18/h4-5,10-11H,6-9H2,1-3H3/t21-/m0/s1
InChIKeyRAPGRBRJSZGRGV-NRFANRHFSA-N
XLogP3.17
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.32
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (S)-N-[(5-bromo-2-morpholin-4-ylphenyl)methylidene]-2-methylpropane-2-sulfinamide?
The IUPAC name of (S)-N-[(5-bromo-2-morpholin-4-ylphenyl)methylidene]-2-methylpropane-2-sulfinamide (CID 165059947) is (S)-N-[(5-bromo-2-morpholin-4-ylphenyl)methylidene]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (S)-N-[(5-bromo-2-morpholin-4-ylphenyl)methylidene]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (S)-N-[(5-bromo-2-morpholin-4-ylphenyl)methylidene]-2-methylpropane-2-sulfinamide is CC(C)(C)[S@](=O)N=Cc1cc(Br)ccc1N1CCOCC1.
What is the InChIKey of (S)-N-[(5-bromo-2-morpholin-4-ylphenyl)methylidene]-2-methylpropane-2-sulfinamide?
The InChIKey is RAPGRBRJSZGRGV-NRFANRHFSA-N. The full InChI is InChI=1S/C15H21BrN2O2S/c1-15(2,3)21(19)17-11-12-10-13(16)4-5-14(12)18-6-8-20-9-7-18/h4-5,10-11H,6-9H2,1-3H3/t21-/m0/s1.
What are the key properties of (S)-N-[(5-bromo-2-morpholin-4-ylphenyl)methylidene]-2-methylpropane-2-sulfinamide?
(S)-N-[(5-bromo-2-morpholin-4-ylphenyl)methylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 373.32 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-N-[(5-bromo-2-morpholin-4-ylphenyl)methylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 165059947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).