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

C9H14N2O4S — CID 43629257

IUPACN-(3-methoxypropyl)-6-oxo-1H-pyridine-3-sulfonamide
SMILESCOCCCNS(=O)(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C9H14N2O4S/c1-15-6-2-5-11-16(13,14)8-3-4-9(12)10-7-8/h3-4,7,11H,2,5-6H2,1H3,(H,10,12)
InChIKeyUWAAUGVQZVMOQV-UHFFFAOYSA-N
MW246.29 g/mol
LogP-0.31
Rot. Bonds6

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

N-(3-methoxypropyl)-6-oxo-1H-pyridine-3-sulfonamide (PubChem CID 43629257) has the molecular formula C9H14N2O4S and a molecular weight of 246.29 g/mol. Its IUPAC name is N-(3-methoxypropyl)-6-oxo-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-6-oxo-1H-pyridine-3-sulfonamide
PubChem CID43629257
Molecular FormulaC9H14N2O4S
Molecular Weight246.29 g/mol
Exact Mass246.07
IUPAC NameN-(3-methoxypropyl)-6-oxo-1H-pyridine-3-sulfonamide
SMILESCOCCCNS(=O)(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C9H14N2O4S/c1-15-6-2-5-11-16(13,14)8-3-4-9(12)10-7-8/h3-4,7,11H,2,5-6H2,1H3,(H,10,12)
InChIKeyUWAAUGVQZVMOQV-UHFFFAOYSA-N
XLogP-0.31
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 5-0.31
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-methoxypropyl)-6-oxo-1H-pyridine-3-sulfonamide?
The IUPAC name of N-(3-methoxypropyl)-6-oxo-1H-pyridine-3-sulfonamide (CID 43629257) is N-(3-methoxypropyl)-6-oxo-1H-pyridine-3-sulfonamide.
What is the SMILES notation for N-(3-methoxypropyl)-6-oxo-1H-pyridine-3-sulfonamide?
The canonical SMILES for N-(3-methoxypropyl)-6-oxo-1H-pyridine-3-sulfonamide is COCCCNS(=O)(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of N-(3-methoxypropyl)-6-oxo-1H-pyridine-3-sulfonamide?
The InChIKey is UWAAUGVQZVMOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O4S/c1-15-6-2-5-11-16(13,14)8-3-4-9(12)10-7-8/h3-4,7,11H,2,5-6H2,1H3,(H,10,12).
What are the key properties of N-(3-methoxypropyl)-6-oxo-1H-pyridine-3-sulfonamide?
N-(3-methoxypropyl)-6-oxo-1H-pyridine-3-sulfonamide has a molecular weight of 246.29 g/mol, XLogP of -0.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-6-oxo-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 43629257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).