(2R)-2-amino-N-(5-bromo-3-methyl-2-pyridinyl)-4-methylsulfanylbutanamide

C11H16BrN3OS — CID 104908962

IUPAC(2R)-2-amino-N-(5-bromo-3-methyl-2-pyridinyl)-4-methylsulfanylbutanamide
SMILESCSCC[C@@H](N)C(=O)Nc1ncc(Br)cc1C
InChIInChI=1S/C11H16BrN3OS/c1-7-5-8(12)6-14-10(7)15-11(16)9(13)3-4-17-2/h5-6,9H,3-4,13H2,1-2H3,(H,14,15,16)/t9-/m1/s1
InChIKeyUMMRAEWYKXJXOL-SECBINFHSA-N
MW318.24 g/mol
LogP2.17
Rot. Bonds5

About (2R)-2-amino-N-(5-bromo-3-methyl-2-pyridinyl)-4-methylsulfanylbutanamide

(2R)-2-amino-N-(5-bromo-3-methyl-2-pyridinyl)-4-methylsulfanylbutanamide (PubChem CID 104908962) has the molecular formula C11H16BrN3OS and a molecular weight of 318.24 g/mol. Its IUPAC name is (2R)-2-amino-N-(5-bromo-3-methyl-2-pyridinyl)-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(5-bromo-3-methyl-2-pyridinyl)-4-methylsulfanylbutanamide
PubChem CID104908962
Molecular FormulaC11H16BrN3OS
Molecular Weight318.24 g/mol
Exact Mass317.02
IUPAC Name(2R)-2-amino-N-(5-bromo-3-methyl-2-pyridinyl)-4-methylsulfanylbutanamide
SMILESCSCC[C@@H](N)C(=O)Nc1ncc(Br)cc1C
InChIInChI=1S/C11H16BrN3OS/c1-7-5-8(12)6-14-10(7)15-11(16)9(13)3-4-17-2/h5-6,9H,3-4,13H2,1-2H3,(H,14,15,16)/t9-/m1/s1
InChIKeyUMMRAEWYKXJXOL-SECBINFHSA-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

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Related Compounds

(2S)-2-amino-N-(5-bromo-3-methyl-2-pyridinyl)-4-phenylbutanamide
CID 104984747
(2S)-2-amino-N-(3-methyl-2-pyridinyl)-4-methylsulfanylbutanamide
CID 61148284
(2R)-2-amino-N-(3-bromoquinolin-8-yl)-4-methylsulfanylbutanamide
CID 104909142
(2R)-2-amino-N-(5-bromopyrazin-2-yl)-4-methylsulfanylbutanamide
CID 104908637
(2R)-2-amino-N-(3-hydroxy-2-pyridinyl)-4-methylsulfanylbutanamide
CID 104908993
(2S)-2-amino-N-[(4-bromo-2-methylphenyl)methyl]-4-methylsulfanylbutanamide
CID 119322093
(2S)-2-amino-N-(4-methyl-3-pyridinyl)-4-methylsulfanylbutanamide
CID 63327708
(2S)-2-amino-N-[(4-bromo-2-methylphenyl)methyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119322092
(2S)-2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-4-methylsulfanylbutanamide
CID 79048870
(2S)-2-amino-N-(6-bromonaphthalen-2-yl)-4-methylsulfanylbutanamide
CID 81259945
5-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]pyridine-2-carboxylic acid
CID 104908861
ethyl 2-[(5-bromo-3-methyl-2-pyridinyl)amino]-2-oxoacetate
CID 83170551

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(5-bromo-3-methyl-2-pyridinyl)-4-methylsulfanylbutanamide?
The IUPAC name of (2R)-2-amino-N-(5-bromo-3-methyl-2-pyridinyl)-4-methylsulfanylbutanamide (CID 104908962) is (2R)-2-amino-N-(5-bromo-3-methyl-2-pyridinyl)-4-methylsulfanylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-(5-bromo-3-methyl-2-pyridinyl)-4-methylsulfanylbutanamide?
The canonical SMILES for (2R)-2-amino-N-(5-bromo-3-methyl-2-pyridinyl)-4-methylsulfanylbutanamide is CSCC[C@@H](N)C(=O)Nc1ncc(Br)cc1C.
What is the InChIKey of (2R)-2-amino-N-(5-bromo-3-methyl-2-pyridinyl)-4-methylsulfanylbutanamide?
The InChIKey is UMMRAEWYKXJXOL-SECBINFHSA-N. The full InChI is InChI=1S/C11H16BrN3OS/c1-7-5-8(12)6-14-10(7)15-11(16)9(13)3-4-17-2/h5-6,9H,3-4,13H2,1-2H3,(H,14,15,16)/t9-/m1/s1.
What are the key properties of (2R)-2-amino-N-(5-bromo-3-methyl-2-pyridinyl)-4-methylsulfanylbutanamide?
(2R)-2-amino-N-(5-bromo-3-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 (2R)-2-amino-N-(5-bromo-3-methyl-2-pyridinyl)-4-methylsulfanylbutanamide is sourced from PubChem (CID 104908962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).