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

C11H17N3OS — CID 63327708

IUPAC(2S)-2-amino-N-(4-methyl-3-pyridinyl)-4-methylsulfanylbutanamide
SMILESCSCC[C@H](N)C(=O)Nc1cnccc1C
InChIInChI=1S/C11H17N3OS/c1-8-3-5-13-7-10(8)14-11(15)9(12)4-6-16-2/h3,5,7,9H,4,6,12H2,1-2H3,(H,14,15)/t9-/m0/s1
InChIKeyYYRUANUPNWGYGT-VIFPVBQESA-N
MW239.34 g/mol
LogP1.41
Rot. Bonds5

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

(2S)-2-amino-N-(4-methyl-3-pyridinyl)-4-methylsulfanylbutanamide (PubChem CID 63327708) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is (2S)-2-amino-N-(4-methyl-3-pyridinyl)-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(4-methyl-3-pyridinyl)-4-methylsulfanylbutanamide
PubChem CID63327708
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name(2S)-2-amino-N-(4-methyl-3-pyridinyl)-4-methylsulfanylbutanamide
SMILESCSCC[C@H](N)C(=O)Nc1cnccc1C
InChIInChI=1S/C11H17N3OS/c1-8-3-5-13-7-10(8)14-11(15)9(12)4-6-16-2/h3,5,7,9H,4,6,12H2,1-2H3,(H,14,15)/t9-/m0/s1
InChIKeyYYRUANUPNWGYGT-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

3-amino-4-[(4-methyl-3-pyridinyl)amino]-4-oxobutanoic acid
CID 64894990
(2S)-2-amino-4-methyl-N-(4-methyl-3-pyridinyl)pentanamide
CID 63327835
(2S)-2-amino-4-methylsulfanyl-N-pyridin-4-ylbutanamide
CID 61148006
2-[(4-methyl-3-pyridinyl)carbamoylamino]-4-methylsulfanylbutanoic acid
CID 63327509
2-amino-3-methoxy-N-(4-methyl-3-pyridinyl)propanamide
CID 81089004
(2S)-2-amino-N-[(3-methyl-4-pyridinyl)methyl]-4-methylsulfanylbutanamide
CID 104941423
(2S)-2-amino-N-(5-fluoro-2-methylphenyl)-4-methylsulfanylbutanamide
CID 61149301
(2R)-2-amino-N-(5-chloro-2-methylphenyl)-4-methylsulfanylbutanamide
CID 104906873
2-amino-N-(5-fluoro-2-methylphenyl)-4-methylsulfanylbutanamide
CID 76892783
(2S)-2-amino-N-(3-methyl-2-pyridinyl)-4-methylsulfanylbutanamide
CID 61148284
3-amino-2-methyl-N-(4-methyl-3-pyridinyl)butanamide;dihydrochloride
CID 120503193
(2S)-2-amino-N-(5-cyano-2-methylphenyl)-4-methylsulfanylbutanamide
CID 62103015

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(4-methyl-3-pyridinyl)-4-methylsulfanylbutanamide?
The IUPAC name of (2S)-2-amino-N-(4-methyl-3-pyridinyl)-4-methylsulfanylbutanamide (CID 63327708) is (2S)-2-amino-N-(4-methyl-3-pyridinyl)-4-methylsulfanylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-(4-methyl-3-pyridinyl)-4-methylsulfanylbutanamide?
The canonical SMILES for (2S)-2-amino-N-(4-methyl-3-pyridinyl)-4-methylsulfanylbutanamide is CSCC[C@H](N)C(=O)Nc1cnccc1C.
What is the InChIKey of (2S)-2-amino-N-(4-methyl-3-pyridinyl)-4-methylsulfanylbutanamide?
The InChIKey is YYRUANUPNWGYGT-VIFPVBQESA-N. The full InChI is InChI=1S/C11H17N3OS/c1-8-3-5-13-7-10(8)14-11(15)9(12)4-6-16-2/h3,5,7,9H,4,6,12H2,1-2H3,(H,14,15)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-N-(4-methyl-3-pyridinyl)-4-methylsulfanylbutanamide?
(2S)-2-amino-N-(4-methyl-3-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-(4-methyl-3-pyridinyl)-4-methylsulfanylbutanamide is sourced from PubChem (CID 63327708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).