(2S)-2-amino-N-(6-fluoro-2-pyridinyl)-4-methylsulfanylbutanamide

C10H14FN3OS — CID 104893696

IUPAC(2S)-2-amino-N-(6-fluoro-2-pyridinyl)-4-methylsulfanylbutanamide
SMILESCSCC[C@H](N)C(=O)Nc1cccc(F)n1
InChIInChI=1S/C10H14FN3OS/c1-16-6-5-7(12)10(15)14-9-4-2-3-8(11)13-9/h2-4,7H,5-6,12H2,1H3,(H,13,14,15)/t7-/m0/s1
InChIKeyRMQXDKHCXDWIIY-ZETCQYMHSA-N
MW243.31 g/mol
LogP1.24
Rot. Bonds5

About (2S)-2-amino-N-(6-fluoro-2-pyridinyl)-4-methylsulfanylbutanamide

(2S)-2-amino-N-(6-fluoro-2-pyridinyl)-4-methylsulfanylbutanamide (PubChem CID 104893696) has the molecular formula C10H14FN3OS and a molecular weight of 243.31 g/mol. Its IUPAC name is (2S)-2-amino-N-(6-fluoro-2-pyridinyl)-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(6-fluoro-2-pyridinyl)-4-methylsulfanylbutanamide
PubChem CID104893696
Molecular FormulaC10H14FN3OS
Molecular Weight243.31 g/mol
Exact Mass243.08
IUPAC Name(2S)-2-amino-N-(6-fluoro-2-pyridinyl)-4-methylsulfanylbutanamide
SMILESCSCC[C@H](N)C(=O)Nc1cccc(F)n1
InChIInChI=1S/C10H14FN3OS/c1-16-6-5-7(12)10(15)14-9-4-2-3-8(11)13-9/h2-4,7H,5-6,12H2,1H3,(H,13,14,15)/t7-/m0/s1
InChIKeyRMQXDKHCXDWIIY-ZETCQYMHSA-N
XLogP1.24
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-N-(6-fluoro-2-pyridinyl)propanamide
CID 104893703
ethyl 2-amino-3-[(6-fluoro-2-pyridinyl)amino]-3-oxopropanoate
CID 116813320
(2S)-2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-4-methylsulfanylbutanamide
CID 79048870
(2S)-2-amino-N-(2-chloropyrimidin-4-yl)-4-methylsulfanylbutanamide
CID 104893497
N-(6-fluoro-2-pyridinyl)-2-methylpropanamide
CID 104820526
(2S)-2-amino-4-methylsulfanyl-N-(1-phenylpyrazol-3-yl)butanamide
CID 119278200
(2S,3S)-2-amino-N-(6-fluoro-2-pyridinyl)-3-methylpentanamide
CID 104893705
(2R)-2-amino-N-(2-bromo-6-fluorophenyl)-4-methylsulfanylbutanamide
CID 107599885
2-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]-6-fluorobenzoic acid
CID 104907999
(2S)-2-amino-4-methylsulfanyl-N-pyridin-4-ylbutanamide
CID 61148006
(2S)-2-amino-N-(5-ethyl-1H-pyrazol-3-yl)-4-methylsulfanylbutanamide
CID 103950165
(2S)-2-amino-N-(2-cyano-3-fluorophenyl)-4-methylsulfanylbutanamide
CID 61154404

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(6-fluoro-2-pyridinyl)-4-methylsulfanylbutanamide?
The IUPAC name of (2S)-2-amino-N-(6-fluoro-2-pyridinyl)-4-methylsulfanylbutanamide (CID 104893696) is (2S)-2-amino-N-(6-fluoro-2-pyridinyl)-4-methylsulfanylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-(6-fluoro-2-pyridinyl)-4-methylsulfanylbutanamide?
The canonical SMILES for (2S)-2-amino-N-(6-fluoro-2-pyridinyl)-4-methylsulfanylbutanamide is CSCC[C@H](N)C(=O)Nc1cccc(F)n1.
What is the InChIKey of (2S)-2-amino-N-(6-fluoro-2-pyridinyl)-4-methylsulfanylbutanamide?
The InChIKey is RMQXDKHCXDWIIY-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H14FN3OS/c1-16-6-5-7(12)10(15)14-9-4-2-3-8(11)13-9/h2-4,7H,5-6,12H2,1H3,(H,13,14,15)/t7-/m0/s1.
What are the key properties of (2S)-2-amino-N-(6-fluoro-2-pyridinyl)-4-methylsulfanylbutanamide?
(2S)-2-amino-N-(6-fluoro-2-pyridinyl)-4-methylsulfanylbutanamide has a molecular weight of 243.31 g/mol, XLogP of 1.24, 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-(6-fluoro-2-pyridinyl)-4-methylsulfanylbutanamide is sourced from PubChem (CID 104893696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).