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

C12H20N2O5S — CID 60981017

IUPACN-(2-methoxyethyl)-N-(3-methoxypropyl)-6-oxo-1H-pyridine-3-sulfonamide
SMILESCOCCCN(CCOC)S(=O)(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C12H20N2O5S/c1-18-8-3-6-14(7-9-19-2)20(16,17)11-4-5-12(15)13-10-11/h4-5,10H,3,6-9H2,1-2H3,(H,13,15)
InChIKeyFFKMEXPVUJWBTJ-UHFFFAOYSA-N
MW304.37 g/mol
LogP0.05
Rot. Bonds9

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

N-(2-methoxyethyl)-N-(3-methoxypropyl)-6-oxo-1H-pyridine-3-sulfonamide (PubChem CID 60981017) has the molecular formula C12H20N2O5S and a molecular weight of 304.37 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-(3-methoxypropyl)-6-oxo-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-(3-methoxypropyl)-6-oxo-1H-pyridine-3-sulfonamide
PubChem CID60981017
Molecular FormulaC12H20N2O5S
Molecular Weight304.37 g/mol
Exact Mass304.11
IUPAC NameN-(2-methoxyethyl)-N-(3-methoxypropyl)-6-oxo-1H-pyridine-3-sulfonamide
SMILESCOCCCN(CCOC)S(=O)(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C12H20N2O5S/c1-18-8-3-6-14(7-9-19-2)20(16,17)11-4-5-12(15)13-10-11/h4-5,10H,3,6-9H2,1-2H3,(H,13,15)
InChIKeyFFKMEXPVUJWBTJ-UHFFFAOYSA-N
XLogP0.05
TPSA88.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-(3-methoxypropyl)-6-oxo-1H-pyridine-3-sulfonamide?
The IUPAC name of N-(2-methoxyethyl)-N-(3-methoxypropyl)-6-oxo-1H-pyridine-3-sulfonamide (CID 60981017) is N-(2-methoxyethyl)-N-(3-methoxypropyl)-6-oxo-1H-pyridine-3-sulfonamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-(3-methoxypropyl)-6-oxo-1H-pyridine-3-sulfonamide?
The canonical SMILES for N-(2-methoxyethyl)-N-(3-methoxypropyl)-6-oxo-1H-pyridine-3-sulfonamide is COCCCN(CCOC)S(=O)(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of N-(2-methoxyethyl)-N-(3-methoxypropyl)-6-oxo-1H-pyridine-3-sulfonamide?
The InChIKey is FFKMEXPVUJWBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O5S/c1-18-8-3-6-14(7-9-19-2)20(16,17)11-4-5-12(15)13-10-11/h4-5,10H,3,6-9H2,1-2H3,(H,13,15).
What are the key properties of N-(2-methoxyethyl)-N-(3-methoxypropyl)-6-oxo-1H-pyridine-3-sulfonamide?
N-(2-methoxyethyl)-N-(3-methoxypropyl)-6-oxo-1H-pyridine-3-sulfonamide has a molecular weight of 304.37 g/mol, XLogP of 0.05, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-(3-methoxypropyl)-6-oxo-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 60981017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).