N-(3-ethoxypropyl)-6-oxo-1H-pyridine-3-sulfonamide

C10H16N2O4S — CID 43629232

IUPACN-(3-ethoxypropyl)-6-oxo-1H-pyridine-3-sulfonamide
SMILESCCOCCCNS(=O)(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C10H16N2O4S/c1-2-16-7-3-6-12-17(14,15)9-4-5-10(13)11-8-9/h4-5,8,12H,2-3,6-7H2,1H3,(H,11,13)
InChIKeyGULMQOHBGGWPIQ-UHFFFAOYSA-N
MW260.31 g/mol
LogP0.08
Rot. Bonds7

About N-(3-ethoxypropyl)-6-oxo-1H-pyridine-3-sulfonamide

N-(3-ethoxypropyl)-6-oxo-1H-pyridine-3-sulfonamide (PubChem CID 43629232) has the molecular formula C10H16N2O4S and a molecular weight of 260.31 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-6-oxo-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-6-oxo-1H-pyridine-3-sulfonamide
PubChem CID43629232
Molecular FormulaC10H16N2O4S
Molecular Weight260.31 g/mol
Exact Mass260.08
IUPAC NameN-(3-ethoxypropyl)-6-oxo-1H-pyridine-3-sulfonamide
SMILESCCOCCCNS(=O)(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C10H16N2O4S/c1-2-16-7-3-6-12-17(14,15)9-4-5-10(13)11-8-9/h4-5,8,12H,2-3,6-7H2,1H3,(H,11,13)
InChIKeyGULMQOHBGGWPIQ-UHFFFAOYSA-N
XLogP0.08
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-ethoxypropyl)-6-oxo-1H-pyridine-3-sulfonamide?
The IUPAC name of N-(3-ethoxypropyl)-6-oxo-1H-pyridine-3-sulfonamide (CID 43629232) is N-(3-ethoxypropyl)-6-oxo-1H-pyridine-3-sulfonamide.
What is the SMILES notation for N-(3-ethoxypropyl)-6-oxo-1H-pyridine-3-sulfonamide?
The canonical SMILES for N-(3-ethoxypropyl)-6-oxo-1H-pyridine-3-sulfonamide is CCOCCCNS(=O)(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of N-(3-ethoxypropyl)-6-oxo-1H-pyridine-3-sulfonamide?
The InChIKey is GULMQOHBGGWPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4S/c1-2-16-7-3-6-12-17(14,15)9-4-5-10(13)11-8-9/h4-5,8,12H,2-3,6-7H2,1H3,(H,11,13).
What are the key properties of N-(3-ethoxypropyl)-6-oxo-1H-pyridine-3-sulfonamide?
N-(3-ethoxypropyl)-6-oxo-1H-pyridine-3-sulfonamide has a molecular weight of 260.31 g/mol, XLogP of 0.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-6-oxo-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 43629232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).