2-propylsulfonyl-N-pyridin-4-ylpropanamide

C11H16N2O3S — CID 60572366

IUPAC2-propylsulfonyl-N-pyridin-4-ylpropanamide
SMILESCCCS(=O)(=O)C(C)C(=O)Nc1ccncc1
InChIInChI=1S/C11H16N2O3S/c1-3-8-17(15,16)9(2)11(14)13-10-4-6-12-7-5-10/h4-7,9H,3,8H2,1-2H3,(H,12,13,14)
InChIKeyXEFWDRXMJRNDET-UHFFFAOYSA-N
MW256.33 g/mol
LogP1.23
Rot. Bonds5

About 2-propylsulfonyl-N-pyridin-4-ylpropanamide

2-propylsulfonyl-N-pyridin-4-ylpropanamide (PubChem CID 60572366) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 2-propylsulfonyl-N-pyridin-4-ylpropanamide.

Molecular Properties

Compound Name2-propylsulfonyl-N-pyridin-4-ylpropanamide
PubChem CID60572366
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name2-propylsulfonyl-N-pyridin-4-ylpropanamide
SMILESCCCS(=O)(=O)C(C)C(=O)Nc1ccncc1
InChIInChI=1S/C11H16N2O3S/c1-3-8-17(15,16)9(2)11(14)13-10-4-6-12-7-5-10/h4-7,9H,3,8H2,1-2H3,(H,12,13,14)
InChIKeyXEFWDRXMJRNDET-UHFFFAOYSA-N
XLogP1.23
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-amino-3,5-dichlorophenyl)-2-propylsulfonylpropanamide
CID 47378185
2-(2-hydroxyethylsulfonyl)-N-phenylpropanamide
CID 82181671
(2S)-2-hydroxy-N-pyridin-4-ylpropanamide
CID 130695584
(2R)-2-amino-N-pyridin-4-ylpropanamide
CID 78972247
2-methyl-N-pyridin-4-yldodecanamide
CID 175060967
N-(4-fluorophenyl)-2-(2-hydroxyethylsulfonyl)propanamide
CID 82181674
N-(3-aminophenyl)-2-butylsulfonylpropanamide
CID 43615888
(2S,3S)-2-amino-3-methyl-N-pyridin-4-ylpentanamide
CID 61148096
2-(3-aminopropylsulfonyl)-N-phenylpropanamide
CID 79015099
(2S)-2-(methylamino)-N-pyridin-4-ylpropanamide
CID 59361167
2-methyl-3-oxo-3-(pyridin-4-ylamino)propanoic acid
CID 114898162
N-[3-(aminomethyl)phenyl]-2-pentylsulfonylpropanamide
CID 107766724

Frequently Asked Questions

What is the IUPAC name of 2-propylsulfonyl-N-pyridin-4-ylpropanamide?
The IUPAC name of 2-propylsulfonyl-N-pyridin-4-ylpropanamide (CID 60572366) is 2-propylsulfonyl-N-pyridin-4-ylpropanamide.
What is the SMILES notation for 2-propylsulfonyl-N-pyridin-4-ylpropanamide?
The canonical SMILES for 2-propylsulfonyl-N-pyridin-4-ylpropanamide is CCCS(=O)(=O)C(C)C(=O)Nc1ccncc1.
What is the InChIKey of 2-propylsulfonyl-N-pyridin-4-ylpropanamide?
The InChIKey is XEFWDRXMJRNDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-3-8-17(15,16)9(2)11(14)13-10-4-6-12-7-5-10/h4-7,9H,3,8H2,1-2H3,(H,12,13,14).
What are the key properties of 2-propylsulfonyl-N-pyridin-4-ylpropanamide?
2-propylsulfonyl-N-pyridin-4-ylpropanamide has a molecular weight of 256.33 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylsulfonyl-N-pyridin-4-ylpropanamide is sourced from PubChem (CID 60572366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).