N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-(2-oxo-1-pyridinyl)propanamide

C13H20N2O3S — CID 103799032

IUPACN-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-(2-oxo-1-pyridinyl)propanamide
SMILESCSC(CO)C(C)NC(=O)CCn1ccccc1=O
InChIInChI=1S/C13H20N2O3S/c1-10(11(9-16)19-2)14-12(17)6-8-15-7-4-3-5-13(15)18/h3-5,7,10-11,16H,6,8-9H2,1-2H3,(H,14,17)
InChIKeyJIKHBYSWGPLVEF-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.47
Rot. Bonds7

About N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-(2-oxo-1-pyridinyl)propanamide

N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-(2-oxo-1-pyridinyl)propanamide (PubChem CID 103799032) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-(2-oxo-1-pyridinyl)propanamide.

Molecular Properties

Compound NameN-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-(2-oxo-1-pyridinyl)propanamide
PubChem CID103799032
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC NameN-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-(2-oxo-1-pyridinyl)propanamide
SMILESCSC(CO)C(C)NC(=O)CCn1ccccc1=O
InChIInChI=1S/C13H20N2O3S/c1-10(11(9-16)19-2)14-12(17)6-8-15-7-4-3-5-13(15)18/h3-5,7,10-11,16H,6,8-9H2,1-2H3,(H,14,17)
InChIKeyJIKHBYSWGPLVEF-UHFFFAOYSA-N
XLogP0.47
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-(2-oxo-1-pyridinyl)propanamide?
The IUPAC name of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-(2-oxo-1-pyridinyl)propanamide (CID 103799032) is N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-(2-oxo-1-pyridinyl)propanamide.
What is the SMILES notation for N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-(2-oxo-1-pyridinyl)propanamide?
The canonical SMILES for N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-(2-oxo-1-pyridinyl)propanamide is CSC(CO)C(C)NC(=O)CCn1ccccc1=O.
What is the InChIKey of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-(2-oxo-1-pyridinyl)propanamide?
The InChIKey is JIKHBYSWGPLVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-10(11(9-16)19-2)14-12(17)6-8-15-7-4-3-5-13(15)18/h3-5,7,10-11,16H,6,8-9H2,1-2H3,(H,14,17).
What are the key properties of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-(2-oxo-1-pyridinyl)propanamide?
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-(2-oxo-1-pyridinyl)propanamide has a molecular weight of 284.38 g/mol, XLogP of 0.47, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-(2-oxo-1-pyridinyl)propanamide is sourced from PubChem (CID 103799032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).