N-(1,4-dimethyl-6-oxo-3-pyridinyl)-3-ethenylsulfonylpropanamide

C12H16N2O4S — CID 154771533

IUPACN-(1,4-dimethyl-6-oxo-3-pyridinyl)-3-ethenylsulfonylpropanamide
SMILESC=CS(=O)(=O)CCC(=O)Nc1cn(C)c(=O)cc1C
InChIInChI=1S/C12H16N2O4S/c1-4-19(17,18)6-5-11(15)13-10-8-14(3)12(16)7-9(10)2/h4,7-8H,1,5-6H2,2-3H3,(H,13,15)
InChIKeyMSFFZZYUBFBWTL-UHFFFAOYSA-N
MW284.34 g/mol
LogP0.58
Rot. Bonds5

About N-(1,4-dimethyl-6-oxo-3-pyridinyl)-3-ethenylsulfonylpropanamide

N-(1,4-dimethyl-6-oxo-3-pyridinyl)-3-ethenylsulfonylpropanamide (PubChem CID 154771533) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is N-(1,4-dimethyl-6-oxo-3-pyridinyl)-3-ethenylsulfonylpropanamide.

Molecular Properties

Compound NameN-(1,4-dimethyl-6-oxo-3-pyridinyl)-3-ethenylsulfonylpropanamide
PubChem CID154771533
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC NameN-(1,4-dimethyl-6-oxo-3-pyridinyl)-3-ethenylsulfonylpropanamide
SMILESC=CS(=O)(=O)CCC(=O)Nc1cn(C)c(=O)cc1C
InChIInChI=1S/C12H16N2O4S/c1-4-19(17,18)6-5-11(15)13-10-8-14(3)12(16)7-9(10)2/h4,7-8H,1,5-6H2,2-3H3,(H,13,15)
InChIKeyMSFFZZYUBFBWTL-UHFFFAOYSA-N
XLogP0.58
TPSA85.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,4-dimethyl-6-oxo-3-pyridinyl)-3-ethenylsulfonylpropanamide?
The IUPAC name of N-(1,4-dimethyl-6-oxo-3-pyridinyl)-3-ethenylsulfonylpropanamide (CID 154771533) is N-(1,4-dimethyl-6-oxo-3-pyridinyl)-3-ethenylsulfonylpropanamide.
What is the SMILES notation for N-(1,4-dimethyl-6-oxo-3-pyridinyl)-3-ethenylsulfonylpropanamide?
The canonical SMILES for N-(1,4-dimethyl-6-oxo-3-pyridinyl)-3-ethenylsulfonylpropanamide is C=CS(=O)(=O)CCC(=O)Nc1cn(C)c(=O)cc1C.
What is the InChIKey of N-(1,4-dimethyl-6-oxo-3-pyridinyl)-3-ethenylsulfonylpropanamide?
The InChIKey is MSFFZZYUBFBWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4S/c1-4-19(17,18)6-5-11(15)13-10-8-14(3)12(16)7-9(10)2/h4,7-8H,1,5-6H2,2-3H3,(H,13,15).
What are the key properties of N-(1,4-dimethyl-6-oxo-3-pyridinyl)-3-ethenylsulfonylpropanamide?
N-(1,4-dimethyl-6-oxo-3-pyridinyl)-3-ethenylsulfonylpropanamide has a molecular weight of 284.34 g/mol, XLogP of 0.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dimethyl-6-oxo-3-pyridinyl)-3-ethenylsulfonylpropanamide is sourced from PubChem (CID 154771533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).