(2S)-2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-4-methylsulfanylbutanamide

C11H16BrN3OS — CID 79048870

IUPAC(2S)-2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-4-methylsulfanylbutanamide
SMILESCSCC[C@H](N)C(=O)Nc1ccc(Br)c(C)n1
InChIInChI=1S/C11H16BrN3OS/c1-7-8(12)3-4-10(14-7)15-11(16)9(13)5-6-17-2/h3-4,9H,5-6,13H2,1-2H3,(H,14,15,16)/t9-/m0/s1
InChIKeyIIVITHIFFLRJHK-VIFPVBQESA-N
MW318.24 g/mol
LogP2.17
Rot. Bonds5

About (2S)-2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-4-methylsulfanylbutanamide

(2S)-2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-4-methylsulfanylbutanamide (PubChem CID 79048870) has the molecular formula C11H16BrN3OS and a molecular weight of 318.24 g/mol. Its IUPAC name is (2S)-2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-4-methylsulfanylbutanamide
PubChem CID79048870
Molecular FormulaC11H16BrN3OS
Molecular Weight318.24 g/mol
Exact Mass317.02
IUPAC Name(2S)-2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-4-methylsulfanylbutanamide
SMILESCSCC[C@H](N)C(=O)Nc1ccc(Br)c(C)n1
InChIInChI=1S/C11H16BrN3OS/c1-7-8(12)3-4-10(14-7)15-11(16)9(13)5-6-17-2/h3-4,9H,5-6,13H2,1-2H3,(H,14,15,16)/t9-/m0/s1
InChIKeyIIVITHIFFLRJHK-VIFPVBQESA-N
XLogP2.17
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.24
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-4-methylsulfanylbutanamide with MolForge

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

Launch Full Analysis

Related Compounds

2-amino-N-(5-bromo-6-methyl-2-pyridinyl)hexanamide
CID 113246337
2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-5-methoxypentanamide
CID 81102470
(2S)-2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-3-phenylpropanamide
CID 79048264
(2S)-2-amino-N-(6-fluoro-2-pyridinyl)-4-methylsulfanylbutanamide
CID 104893696
(2S)-2-amino-N-(2-chloropyrimidin-4-yl)-4-methylsulfanylbutanamide
CID 104893497
2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-3,3-dimethylbutanamide
CID 112555732
(2R)-2-amino-N-(5-bromopyrazin-2-yl)-4-methylsulfanylbutanamide
CID 104908637
2-bromo-N-(5-bromo-6-methyl-2-pyridinyl)propanamide
CID 107905424
(2R)-2-amino-N-(2-bromophenyl)-4-methylsulfanylbutanamide
CID 104906820
N-(5-bromo-6-methyl-2-pyridinyl)-2-chloropropanamide
CID 79018492
(2S)-2-amino-4-methylsulfanyl-N-pyridin-4-ylbutanamide
CID 61148006
(2S)-2-amino-N-(6-bromonaphthalen-2-yl)-4-methylsulfanylbutanamide
CID 81259945

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-4-methylsulfanylbutanamide?
The IUPAC name of (2S)-2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-4-methylsulfanylbutanamide (CID 79048870) is (2S)-2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-4-methylsulfanylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-4-methylsulfanylbutanamide?
The canonical SMILES for (2S)-2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-4-methylsulfanylbutanamide is CSCC[C@H](N)C(=O)Nc1ccc(Br)c(C)n1.
What is the InChIKey of (2S)-2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-4-methylsulfanylbutanamide?
The InChIKey is IIVITHIFFLRJHK-VIFPVBQESA-N. The full InChI is InChI=1S/C11H16BrN3OS/c1-7-8(12)3-4-10(14-7)15-11(16)9(13)5-6-17-2/h3-4,9H,5-6,13H2,1-2H3,(H,14,15,16)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-4-methylsulfanylbutanamide?
(2S)-2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-4-methylsulfanylbutanamide has a molecular weight of 318.24 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-4-methylsulfanylbutanamide is sourced from PubChem (CID 79048870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).