(2R)-N-(2-oxopropyl)-2-pyridin-2-ylsulfanylpropanamide

C11H14N2O2S — CID 97251469

IUPAC(2R)-N-(2-oxopropyl)-2-pyridin-2-ylsulfanylpropanamide
SMILESCC(=O)CNC(=O)[C@@H](C)Sc1ccccn1
InChIInChI=1S/C11H14N2O2S/c1-8(14)7-13-11(15)9(2)16-10-5-3-4-6-12-10/h3-6,9H,7H2,1-2H3,(H,13,15)/t9-/m1/s1
InChIKeyFLXNJUIZVVKZDT-SECBINFHSA-N
MW238.31 g/mol
LogP1.27
Rot. Bonds5

About (2R)-N-(2-oxopropyl)-2-pyridin-2-ylsulfanylpropanamide

(2R)-N-(2-oxopropyl)-2-pyridin-2-ylsulfanylpropanamide (PubChem CID 97251469) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is (2R)-N-(2-oxopropyl)-2-pyridin-2-ylsulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-(2-oxopropyl)-2-pyridin-2-ylsulfanylpropanamide
PubChem CID97251469
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC Name(2R)-N-(2-oxopropyl)-2-pyridin-2-ylsulfanylpropanamide
SMILESCC(=O)CNC(=O)[C@@H](C)Sc1ccccn1
InChIInChI=1S/C11H14N2O2S/c1-8(14)7-13-11(15)9(2)16-10-5-3-4-6-12-10/h3-6,9H,7H2,1-2H3,(H,13,15)/t9-/m1/s1
InChIKeyFLXNJUIZVVKZDT-SECBINFHSA-N
XLogP1.27
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-hydroxycyclopentyl)methyl]-2-pyridin-2-ylsulfanylpropanamide
CID 111977244
N-[2-(4-methoxyphenyl)ethyl]-2-pyridin-2-ylsulfanylpropanamide
CID 51234182
4-pyridin-2-ylsulfanylpentan-2-one
CID 64727463
(2S)-N-[2-(4-nitrophenyl)ethyl]-2-pyridin-2-ylsulfanylpropanamide
CID 97030696
N-(2,6-dimethylphenyl)-2-pyridin-2-ylsulfanylpropanamide
CID 51234191
3-phenyl-3-(2-pyridin-2-ylsulfanylpropanoylamino)propanoic acid
CID 53215548
2-pyridin-2-ylsulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 51234179
(2R)-N-[(1S)-2-methyl-1-pyridin-2-ylpropyl]-2-pyridin-2-ylsulfanylpropanamide
CID 97079268
(2R)-2-pyridin-2-ylsulfanyl-N-(2,4,6-trimethylphenyl)propanamide
CID 674012
N-(1-phenylbutyl)-2-pyridin-2-ylsulfanylpropanamide
CID 46810322
N-(2-butan-2-ylphenyl)-2-pyridin-2-ylsulfanylpropanamide
CID 46544190
(2R)-N-(2-phenylphenyl)-2-pyridin-2-ylsulfanylpropanamide
CID 40550522

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-oxopropyl)-2-pyridin-2-ylsulfanylpropanamide?
The IUPAC name of (2R)-N-(2-oxopropyl)-2-pyridin-2-ylsulfanylpropanamide (CID 97251469) is (2R)-N-(2-oxopropyl)-2-pyridin-2-ylsulfanylpropanamide.
What is the SMILES notation for (2R)-N-(2-oxopropyl)-2-pyridin-2-ylsulfanylpropanamide?
The canonical SMILES for (2R)-N-(2-oxopropyl)-2-pyridin-2-ylsulfanylpropanamide is CC(=O)CNC(=O)[C@@H](C)Sc1ccccn1.
What is the InChIKey of (2R)-N-(2-oxopropyl)-2-pyridin-2-ylsulfanylpropanamide?
The InChIKey is FLXNJUIZVVKZDT-SECBINFHSA-N. The full InChI is InChI=1S/C11H14N2O2S/c1-8(14)7-13-11(15)9(2)16-10-5-3-4-6-12-10/h3-6,9H,7H2,1-2H3,(H,13,15)/t9-/m1/s1.
What are the key properties of (2R)-N-(2-oxopropyl)-2-pyridin-2-ylsulfanylpropanamide?
(2R)-N-(2-oxopropyl)-2-pyridin-2-ylsulfanylpropanamide has a molecular weight of 238.31 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-oxopropyl)-2-pyridin-2-ylsulfanylpropanamide is sourced from PubChem (CID 97251469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).