N-[(2S)-butan-2-yl]-2-pyridin-4-ylsulfanylacetamide

C11H16N2OS — CID 94102095

IUPACN-[(2S)-butan-2-yl]-2-pyridin-4-ylsulfanylacetamide
SMILESCC[C@H](C)NC(=O)CSc1ccncc1
InChIInChI=1S/C11H16N2OS/c1-3-9(2)13-11(14)8-15-10-4-6-12-7-5-10/h4-7,9H,3,8H2,1-2H3,(H,13,14)/t9-/m0/s1
InChIKeyYBMJJPHSUSNXAG-VIFPVBQESA-N
MW224.33 g/mol
LogP2.09
Rot. Bonds5

About N-[(2S)-butan-2-yl]-2-pyridin-4-ylsulfanylacetamide

N-[(2S)-butan-2-yl]-2-pyridin-4-ylsulfanylacetamide (PubChem CID 94102095) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-2-pyridin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-2-pyridin-4-ylsulfanylacetamide
PubChem CID94102095
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC NameN-[(2S)-butan-2-yl]-2-pyridin-4-ylsulfanylacetamide
SMILESCC[C@H](C)NC(=O)CSc1ccncc1
InChIInChI=1S/C11H16N2OS/c1-3-9(2)13-11(14)8-15-10-4-6-12-7-5-10/h4-7,9H,3,8H2,1-2H3,(H,13,14)/t9-/m0/s1
InChIKeyYBMJJPHSUSNXAG-VIFPVBQESA-N
XLogP2.09
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-butan-2-yl]-2-(4-chlorophenyl)sulfanylacetamide
CID 722549
(2S)-2-[(2-pyridin-4-ylsulfanylacetyl)amino]propanoic acid
CID 61131663
N-butan-2-yl-2-(4-chlorophenyl)sulfanylacetamide
CID 3139102
N-(1-hydroxy-3-methylbutan-2-yl)-2-pyridin-4-ylsulfanylacetamide
CID 79255664
ethyl 2-[(2-pyridin-4-ylsulfanylacetyl)amino]propanoate
CID 61343151
2-(4-acetamidophenyl)sulfanyl-N-[(2S)-butan-2-yl]acetamide
CID 2124176
4-methyl-2-[(2-pyridin-4-ylsulfanylacetyl)amino]pentanoic acid
CID 43170168
(2S)-4-methyl-2-[(2-pyridin-4-ylsulfanylacetyl)amino]pentanoic acid
CID 61156542
N-[(2R)-2-(ethylamino)propyl]-2-pyridin-4-ylsulfanylacetamide;hydrochloride
CID 120650682
(2R)-4-methylsulfanyl-2-[(2-pyridin-4-ylsulfanylacetyl)amino]butanoic acid
CID 93306045
tert-butyl (2R)-2-[(2-pyridin-4-ylsulfanylacetyl)amino]propanoate
CID 81004061
N-(3-hydroxy-2-methylpropyl)-2-pyridin-4-ylsulfanylacetamide
CID 65032260

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-2-pyridin-4-ylsulfanylacetamide?
The IUPAC name of N-[(2S)-butan-2-yl]-2-pyridin-4-ylsulfanylacetamide (CID 94102095) is N-[(2S)-butan-2-yl]-2-pyridin-4-ylsulfanylacetamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-2-pyridin-4-ylsulfanylacetamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-2-pyridin-4-ylsulfanylacetamide is CC[C@H](C)NC(=O)CSc1ccncc1.
What is the InChIKey of N-[(2S)-butan-2-yl]-2-pyridin-4-ylsulfanylacetamide?
The InChIKey is YBMJJPHSUSNXAG-VIFPVBQESA-N. The full InChI is InChI=1S/C11H16N2OS/c1-3-9(2)13-11(14)8-15-10-4-6-12-7-5-10/h4-7,9H,3,8H2,1-2H3,(H,13,14)/t9-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-2-pyridin-4-ylsulfanylacetamide?
N-[(2S)-butan-2-yl]-2-pyridin-4-ylsulfanylacetamide has a molecular weight of 224.33 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-2-pyridin-4-ylsulfanylacetamide is sourced from PubChem (CID 94102095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).