N-(3-morpholin-4-ylpropyl)-6-oxo-1H-pyridine-3-sulfonamide

C12H19N3O4S — CID 43629171

IUPACN-(3-morpholin-4-ylpropyl)-6-oxo-1H-pyridine-3-sulfonamide
SMILESO=c1ccc(S(=O)(=O)NCCCN2CCOCC2)c[nH]1
InChIInChI=1S/C12H19N3O4S/c16-12-3-2-11(10-13-12)20(17,18)14-4-1-5-15-6-8-19-9-7-15/h2-3,10,14H,1,4-9H2,(H,13,16)
InChIKeyVDJRSKOXUCWXLT-UHFFFAOYSA-N
MW301.37 g/mol
LogP-0.62
Rot. Bonds6

About N-(3-morpholin-4-ylpropyl)-6-oxo-1H-pyridine-3-sulfonamide

N-(3-morpholin-4-ylpropyl)-6-oxo-1H-pyridine-3-sulfonamide (PubChem CID 43629171) has the molecular formula C12H19N3O4S and a molecular weight of 301.37 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-6-oxo-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-6-oxo-1H-pyridine-3-sulfonamide
PubChem CID43629171
Molecular FormulaC12H19N3O4S
Molecular Weight301.37 g/mol
Exact Mass301.11
IUPAC NameN-(3-morpholin-4-ylpropyl)-6-oxo-1H-pyridine-3-sulfonamide
SMILESO=c1ccc(S(=O)(=O)NCCCN2CCOCC2)c[nH]1
InChIInChI=1S/C12H19N3O4S/c16-12-3-2-11(10-13-12)20(17,18)14-4-1-5-15-6-8-19-9-7-15/h2-3,10,14H,1,4-9H2,(H,13,16)
InChIKeyVDJRSKOXUCWXLT-UHFFFAOYSA-N
XLogP-0.62
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 5-0.62
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-morpholin-4-ylpropyl)-6-oxo-1H-pyridine-3-sulfonamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-6-oxo-1H-pyridine-3-sulfonamide (CID 43629171) is N-(3-morpholin-4-ylpropyl)-6-oxo-1H-pyridine-3-sulfonamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-6-oxo-1H-pyridine-3-sulfonamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-6-oxo-1H-pyridine-3-sulfonamide is O=c1ccc(S(=O)(=O)NCCCN2CCOCC2)c[nH]1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-6-oxo-1H-pyridine-3-sulfonamide?
The InChIKey is VDJRSKOXUCWXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4S/c16-12-3-2-11(10-13-12)20(17,18)14-4-1-5-15-6-8-19-9-7-15/h2-3,10,14H,1,4-9H2,(H,13,16).
What are the key properties of N-(3-morpholin-4-ylpropyl)-6-oxo-1H-pyridine-3-sulfonamide?
N-(3-morpholin-4-ylpropyl)-6-oxo-1H-pyridine-3-sulfonamide has a molecular weight of 301.37 g/mol, XLogP of -0.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-6-oxo-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 43629171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).