N-[(5-bromo-2-pyridinyl)methyl-tert-butyl-oxo-λ6-sulfanylidene]-2,2-dimethylpropanamide

C15H23BrN2O2S — CID 162396881

IUPACN-[(5-bromo-2-pyridinyl)methyl-tert-butyl-oxo-λ6-sulfanylidene]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)N=[S@@](=O)(Cc1ccc(Br)cn1)C(C)(C)C
InChIInChI=1S/C15H23BrN2O2S/c1-14(2,3)13(19)18-21(20,15(4,5)6)10-12-8-7-11(16)9-17-12/h7-9H,10H2,1-6H3/t21-/m1/s1
InChIKeyDXYSLUFKBQFCQU-OAQYLSRUSA-N
MW375.33 g/mol
LogP4.18
Rot. Bonds2

About N-[(5-bromo-2-pyridinyl)methyl-tert-butyl-oxo-λ6-sulfanylidene]-2,2-dimethylpropanamide

N-[(5-bromo-2-pyridinyl)methyl-tert-butyl-oxo-λ6-sulfanylidene]-2,2-dimethylpropanamide (PubChem CID 162396881) has the molecular formula C15H23BrN2O2S and a molecular weight of 375.33 g/mol. Its IUPAC name is N-[(5-bromo-2-pyridinyl)methyl-tert-butyl-oxo-λ6-sulfanylidene]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(5-bromo-2-pyridinyl)methyl-tert-butyl-oxo-λ6-sulfanylidene]-2,2-dimethylpropanamide
PubChem CID162396881
Molecular FormulaC15H23BrN2O2S
Molecular Weight375.33 g/mol
Exact Mass374.07
IUPAC NameN-[(5-bromo-2-pyridinyl)methyl-tert-butyl-oxo-λ6-sulfanylidene]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)N=[S@@](=O)(Cc1ccc(Br)cn1)C(C)(C)C
InChIInChI=1S/C15H23BrN2O2S/c1-14(2,3)13(19)18-21(20,15(4,5)6)10-12-8-7-11(16)9-17-12/h7-9H,10H2,1-6H3/t21-/m1/s1
InChIKeyDXYSLUFKBQFCQU-OAQYLSRUSA-N
XLogP4.18
TPSA59.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.33
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[(5-bromo-2-pyridinyl)methyl-tert-butyl-oxo-λ6-sulfanylidene]-2,2-dimethylpropanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-pyridinyl)methyl-tert-butyl-oxo-λ6-sulfanylidene]-2,2-dimethylpropanamide?
The IUPAC name of N-[(5-bromo-2-pyridinyl)methyl-tert-butyl-oxo-λ6-sulfanylidene]-2,2-dimethylpropanamide (CID 162396881) is N-[(5-bromo-2-pyridinyl)methyl-tert-butyl-oxo-λ6-sulfanylidene]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(5-bromo-2-pyridinyl)methyl-tert-butyl-oxo-λ6-sulfanylidene]-2,2-dimethylpropanamide?
The canonical SMILES for N-[(5-bromo-2-pyridinyl)methyl-tert-butyl-oxo-λ6-sulfanylidene]-2,2-dimethylpropanamide is CC(C)(C)C(=O)N=[S@@](=O)(Cc1ccc(Br)cn1)C(C)(C)C.
What is the InChIKey of N-[(5-bromo-2-pyridinyl)methyl-tert-butyl-oxo-λ6-sulfanylidene]-2,2-dimethylpropanamide?
The InChIKey is DXYSLUFKBQFCQU-OAQYLSRUSA-N. The full InChI is InChI=1S/C15H23BrN2O2S/c1-14(2,3)13(19)18-21(20,15(4,5)6)10-12-8-7-11(16)9-17-12/h7-9H,10H2,1-6H3/t21-/m1/s1.
What are the key properties of N-[(5-bromo-2-pyridinyl)methyl-tert-butyl-oxo-λ6-sulfanylidene]-2,2-dimethylpropanamide?
N-[(5-bromo-2-pyridinyl)methyl-tert-butyl-oxo-λ6-sulfanylidene]-2,2-dimethylpropanamide has a molecular weight of 375.33 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-pyridinyl)methyl-tert-butyl-oxo-λ6-sulfanylidene]-2,2-dimethylpropanamide is sourced from PubChem (CID 162396881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).