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

C9H14N2O4S — CID 61041808

IUPACN-(2-methoxyethyl)-N-methyl-6-oxo-1H-pyridine-3-sulfonamide
SMILESCOCCN(C)S(=O)(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C9H14N2O4S/c1-11(5-6-15-2)16(13,14)8-3-4-9(12)10-7-8/h3-4,7H,5-6H2,1-2H3,(H,10,12)
InChIKeyIXZBBCGZLOCLKR-UHFFFAOYSA-N
MW246.29 g/mol
LogP-0.36
Rot. Bonds5

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

N-(2-methoxyethyl)-N-methyl-6-oxo-1H-pyridine-3-sulfonamide (PubChem CID 61041808) has the molecular formula C9H14N2O4S and a molecular weight of 246.29 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-methyl-6-oxo-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-methyl-6-oxo-1H-pyridine-3-sulfonamide
PubChem CID61041808
Molecular FormulaC9H14N2O4S
Molecular Weight246.29 g/mol
Exact Mass246.07
IUPAC NameN-(2-methoxyethyl)-N-methyl-6-oxo-1H-pyridine-3-sulfonamide
SMILESCOCCN(C)S(=O)(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C9H14N2O4S/c1-11(5-6-15-2)16(13,14)8-3-4-9(12)10-7-8/h3-4,7H,5-6H2,1-2H3,(H,10,12)
InChIKeyIXZBBCGZLOCLKR-UHFFFAOYSA-N
XLogP-0.36
TPSA79.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-methyl-6-oxo-1H-pyridine-3-sulfonamide?
The IUPAC name of N-(2-methoxyethyl)-N-methyl-6-oxo-1H-pyridine-3-sulfonamide (CID 61041808) is N-(2-methoxyethyl)-N-methyl-6-oxo-1H-pyridine-3-sulfonamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-methyl-6-oxo-1H-pyridine-3-sulfonamide?
The canonical SMILES for N-(2-methoxyethyl)-N-methyl-6-oxo-1H-pyridine-3-sulfonamide is COCCN(C)S(=O)(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of N-(2-methoxyethyl)-N-methyl-6-oxo-1H-pyridine-3-sulfonamide?
The InChIKey is IXZBBCGZLOCLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O4S/c1-11(5-6-15-2)16(13,14)8-3-4-9(12)10-7-8/h3-4,7H,5-6H2,1-2H3,(H,10,12).
What are the key properties of N-(2-methoxyethyl)-N-methyl-6-oxo-1H-pyridine-3-sulfonamide?
N-(2-methoxyethyl)-N-methyl-6-oxo-1H-pyridine-3-sulfonamide has a molecular weight of 246.29 g/mol, XLogP of -0.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-methyl-6-oxo-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 61041808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).