5-methyl-6-oxo-N-(2-propoxyethyl)-1H-pyridine-3-sulfonamide

C11H18N2O4S — CID 163871884

IUPAC5-methyl-6-oxo-N-(2-propoxyethyl)-1H-pyridine-3-sulfonamide
SMILESCCCOCCNS(=O)(=O)c1c[nH]c(=O)c(C)c1
InChIInChI=1S/C11H18N2O4S/c1-3-5-17-6-4-13-18(15,16)10-7-9(2)11(14)12-8-10/h7-8,13H,3-6H2,1-2H3,(H,12,14)
InChIKeyPLNFKRKGXZEVLJ-UHFFFAOYSA-N
MW274.34 g/mol
LogP0.39
Rot. Bonds7

About 5-methyl-6-oxo-N-(2-propoxyethyl)-1H-pyridine-3-sulfonamide

5-methyl-6-oxo-N-(2-propoxyethyl)-1H-pyridine-3-sulfonamide (PubChem CID 163871884) has the molecular formula C11H18N2O4S and a molecular weight of 274.34 g/mol. Its IUPAC name is 5-methyl-6-oxo-N-(2-propoxyethyl)-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-methyl-6-oxo-N-(2-propoxyethyl)-1H-pyridine-3-sulfonamide
PubChem CID163871884
Molecular FormulaC11H18N2O4S
Molecular Weight274.34 g/mol
Exact Mass274.10
IUPAC Name5-methyl-6-oxo-N-(2-propoxyethyl)-1H-pyridine-3-sulfonamide
SMILESCCCOCCNS(=O)(=O)c1c[nH]c(=O)c(C)c1
InChIInChI=1S/C11H18N2O4S/c1-3-5-17-6-4-13-18(15,16)10-7-9(2)11(14)12-8-10/h7-8,13H,3-6H2,1-2H3,(H,12,14)
InChIKeyPLNFKRKGXZEVLJ-UHFFFAOYSA-N
XLogP0.39
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-methyl-6-oxo-N-(2-propoxyethyl)-1H-pyridine-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-oxo-N-(2-propoxyethyl)-1H-pyridine-3-sulfonamide?
The IUPAC name of 5-methyl-6-oxo-N-(2-propoxyethyl)-1H-pyridine-3-sulfonamide (CID 163871884) is 5-methyl-6-oxo-N-(2-propoxyethyl)-1H-pyridine-3-sulfonamide.
What is the SMILES notation for 5-methyl-6-oxo-N-(2-propoxyethyl)-1H-pyridine-3-sulfonamide?
The canonical SMILES for 5-methyl-6-oxo-N-(2-propoxyethyl)-1H-pyridine-3-sulfonamide is CCCOCCNS(=O)(=O)c1c[nH]c(=O)c(C)c1.
What is the InChIKey of 5-methyl-6-oxo-N-(2-propoxyethyl)-1H-pyridine-3-sulfonamide?
The InChIKey is PLNFKRKGXZEVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4S/c1-3-5-17-6-4-13-18(15,16)10-7-9(2)11(14)12-8-10/h7-8,13H,3-6H2,1-2H3,(H,12,14).
What are the key properties of 5-methyl-6-oxo-N-(2-propoxyethyl)-1H-pyridine-3-sulfonamide?
5-methyl-6-oxo-N-(2-propoxyethyl)-1H-pyridine-3-sulfonamide has a molecular weight of 274.34 g/mol, XLogP of 0.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-oxo-N-(2-propoxyethyl)-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 163871884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).