(2S)-2-amino-N-(3-methyl-2-pyridinyl)-4-methylsulfanylbutanamide

C11H17N3OS — CID 61148284

IUPAC(2S)-2-amino-N-(3-methyl-2-pyridinyl)-4-methylsulfanylbutanamide
SMILESCSCC[C@H](N)C(=O)Nc1ncccc1C
InChIInChI=1S/C11H17N3OS/c1-8-4-3-6-13-10(8)14-11(15)9(12)5-7-16-2/h3-4,6,9H,5,7,12H2,1-2H3,(H,13,14,15)/t9-/m0/s1
InChIKeyYIOUHFYUMQXIEC-VIFPVBQESA-N
MW239.34 g/mol
LogP1.41
Rot. Bonds5

About (2S)-2-amino-N-(3-methyl-2-pyridinyl)-4-methylsulfanylbutanamide

(2S)-2-amino-N-(3-methyl-2-pyridinyl)-4-methylsulfanylbutanamide (PubChem CID 61148284) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is (2S)-2-amino-N-(3-methyl-2-pyridinyl)-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(3-methyl-2-pyridinyl)-4-methylsulfanylbutanamide
PubChem CID61148284
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name(2S)-2-amino-N-(3-methyl-2-pyridinyl)-4-methylsulfanylbutanamide
SMILESCSCC[C@H](N)C(=O)Nc1ncccc1C
InChIInChI=1S/C11H17N3OS/c1-8-4-3-6-13-10(8)14-11(15)9(12)5-7-16-2/h3-4,6,9H,5,7,12H2,1-2H3,(H,13,14,15)/t9-/m0/s1
InChIKeyYIOUHFYUMQXIEC-VIFPVBQESA-N
XLogP1.41
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-(3-hydroxy-2-pyridinyl)-4-methylsulfanylbutanamide
CID 104908993
(2R)-2-amino-N-(3-methyl-2-pyridinyl)pentanamide
CID 107568105
2-amino-N-(3-methyl-2-pyridinyl)propanamide
CID 60731979
(2R)-2-amino-N-(5-bromo-3-methyl-2-pyridinyl)-4-methylsulfanylbutanamide
CID 104908962
(2S)-2-amino-N-(4-methyl-3-pyridinyl)-4-methylsulfanylbutanamide
CID 63327708
(2S)-2-amino-4-methylsulfanyl-N-pyridin-4-ylbutanamide
CID 61148006
(2S)-2-amino-N-(3-hydroxy-2-pyridinyl)pentanamide
CID 107570512
(2S)-2-amino-N-(2-chloropyrimidin-4-yl)-4-methylsulfanylbutanamide
CID 104893497
5-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]pyridine-2-carboxylic acid
CID 104908861
(2S)-2-amino-N-(2-ethylphenyl)-4-methylsulfanylbutanamide
CID 22691889
(2R)-2-amino-N-[(1S)-1-(2-methylphenyl)ethyl]-4-methylsulfanylbutanamide
CID 104908821
2-(4-methylphenyl)sulfanyl-N-(3-methyl-2-pyridinyl)butanamide
CID 23801438

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(3-methyl-2-pyridinyl)-4-methylsulfanylbutanamide?
The IUPAC name of (2S)-2-amino-N-(3-methyl-2-pyridinyl)-4-methylsulfanylbutanamide (CID 61148284) is (2S)-2-amino-N-(3-methyl-2-pyridinyl)-4-methylsulfanylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-(3-methyl-2-pyridinyl)-4-methylsulfanylbutanamide?
The canonical SMILES for (2S)-2-amino-N-(3-methyl-2-pyridinyl)-4-methylsulfanylbutanamide is CSCC[C@H](N)C(=O)Nc1ncccc1C.
What is the InChIKey of (2S)-2-amino-N-(3-methyl-2-pyridinyl)-4-methylsulfanylbutanamide?
The InChIKey is YIOUHFYUMQXIEC-VIFPVBQESA-N. The full InChI is InChI=1S/C11H17N3OS/c1-8-4-3-6-13-10(8)14-11(15)9(12)5-7-16-2/h3-4,6,9H,5,7,12H2,1-2H3,(H,13,14,15)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-N-(3-methyl-2-pyridinyl)-4-methylsulfanylbutanamide?
(2S)-2-amino-N-(3-methyl-2-pyridinyl)-4-methylsulfanylbutanamide has a molecular weight of 239.34 g/mol, XLogP of 1.41, 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-(3-methyl-2-pyridinyl)-4-methylsulfanylbutanamide is sourced from PubChem (CID 61148284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).