N-[3-(2-methoxyethoxy)propyl]-6-oxo-1H-pyridine-3-sulfonamide

C11H18N2O5S — CID 61249866

IUPACN-[3-(2-methoxyethoxy)propyl]-6-oxo-1H-pyridine-3-sulfonamide
SMILESCOCCOCCCNS(=O)(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C11H18N2O5S/c1-17-7-8-18-6-2-5-13-19(15,16)10-3-4-11(14)12-9-10/h3-4,9,13H,2,5-8H2,1H3,(H,12,14)
InChIKeyUJFKJSCFPARABP-UHFFFAOYSA-N
MW290.34 g/mol
LogP-0.29
Rot. Bonds9

About N-[3-(2-methoxyethoxy)propyl]-6-oxo-1H-pyridine-3-sulfonamide

N-[3-(2-methoxyethoxy)propyl]-6-oxo-1H-pyridine-3-sulfonamide (PubChem CID 61249866) has the molecular formula C11H18N2O5S and a molecular weight of 290.34 g/mol. Its IUPAC name is N-[3-(2-methoxyethoxy)propyl]-6-oxo-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[3-(2-methoxyethoxy)propyl]-6-oxo-1H-pyridine-3-sulfonamide
PubChem CID61249866
Molecular FormulaC11H18N2O5S
Molecular Weight290.34 g/mol
Exact Mass290.09
IUPAC NameN-[3-(2-methoxyethoxy)propyl]-6-oxo-1H-pyridine-3-sulfonamide
SMILESCOCCOCCCNS(=O)(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C11H18N2O5S/c1-17-7-8-18-6-2-5-13-19(15,16)10-3-4-11(14)12-9-10/h3-4,9,13H,2,5-8H2,1H3,(H,12,14)
InChIKeyUJFKJSCFPARABP-UHFFFAOYSA-N
XLogP-0.29
TPSA97.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
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-[3-(2-methoxyethoxy)propyl]-6-oxo-1H-pyridine-3-sulfonamide?
The IUPAC name of N-[3-(2-methoxyethoxy)propyl]-6-oxo-1H-pyridine-3-sulfonamide (CID 61249866) is N-[3-(2-methoxyethoxy)propyl]-6-oxo-1H-pyridine-3-sulfonamide.
What is the SMILES notation for N-[3-(2-methoxyethoxy)propyl]-6-oxo-1H-pyridine-3-sulfonamide?
The canonical SMILES for N-[3-(2-methoxyethoxy)propyl]-6-oxo-1H-pyridine-3-sulfonamide is COCCOCCCNS(=O)(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of N-[3-(2-methoxyethoxy)propyl]-6-oxo-1H-pyridine-3-sulfonamide?
The InChIKey is UJFKJSCFPARABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O5S/c1-17-7-8-18-6-2-5-13-19(15,16)10-3-4-11(14)12-9-10/h3-4,9,13H,2,5-8H2,1H3,(H,12,14).
What are the key properties of N-[3-(2-methoxyethoxy)propyl]-6-oxo-1H-pyridine-3-sulfonamide?
N-[3-(2-methoxyethoxy)propyl]-6-oxo-1H-pyridine-3-sulfonamide has a molecular weight of 290.34 g/mol, XLogP of -0.29, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyethoxy)propyl]-6-oxo-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 61249866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).