4-(ethylamino)-N-(3-propoxypropyl)pyridine-3-sulfonamide

C13H23N3O3S — CID 82947585

IUPAC4-(ethylamino)-N-(3-propoxypropyl)pyridine-3-sulfonamide
SMILESCCCOCCCNS(=O)(=O)c1cnccc1NCC
InChIInChI=1S/C13H23N3O3S/c1-3-9-19-10-5-7-16-20(17,18)13-11-14-8-6-12(13)15-4-2/h6,8,11,16H,3-5,7,9-10H2,1-2H3,(H,14,15)
InChIKeyIOAHLZKPSOWPJC-UHFFFAOYSA-N
MW301.41 g/mol
LogP1.61
Rot. Bonds10

About 4-(ethylamino)-N-(3-propoxypropyl)pyridine-3-sulfonamide

4-(ethylamino)-N-(3-propoxypropyl)pyridine-3-sulfonamide (PubChem CID 82947585) has the molecular formula C13H23N3O3S and a molecular weight of 301.41 g/mol. Its IUPAC name is 4-(ethylamino)-N-(3-propoxypropyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name4-(ethylamino)-N-(3-propoxypropyl)pyridine-3-sulfonamide
PubChem CID82947585
Molecular FormulaC13H23N3O3S
Molecular Weight301.41 g/mol
Exact Mass301.15
IUPAC Name4-(ethylamino)-N-(3-propoxypropyl)pyridine-3-sulfonamide
SMILESCCCOCCCNS(=O)(=O)c1cnccc1NCC
InChIInChI=1S/C13H23N3O3S/c1-3-9-19-10-5-7-16-20(17,18)13-11-14-8-6-12(13)15-4-2/h6,8,11,16H,3-5,7,9-10H2,1-2H3,(H,14,15)
InChIKeyIOAHLZKPSOWPJC-UHFFFAOYSA-N
XLogP1.61
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 51.61
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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Related Compounds

4-(ethylamino)-N-[3-(methanesulfonamido)propyl]pyridine-3-sulfonamide
CID 106342226
N-(5-methylhexyl)-4-(propylamino)pyridine-3-sulfonamide
CID 115327205
4-(ethylamino)-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide
CID 114957452
4-(ethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-3-sulfonamide
CID 106106302
2-(ethylaminomethyl)-N-(3-propoxypropyl)benzenesulfonamide
CID 106074176
4-(ethylamino)-N-(thiolan-2-ylmethyl)pyridine-3-sulfonamide
CID 80586298
2,6-difluoro-N-(3-propoxypropyl)benzenesulfonamide
CID 3851182
4-chloro-N-octylpyridine-3-sulfonamide
CID 113337153
2-amino-N-(3-propoxypropyl)pyridine-4-sulfonamide
CID 82946971
2-amino-4,5-dimethyl-N-(3-propoxypropyl)benzenesulfonamide
CID 82949556
5-(ethylaminomethyl)-N-(3-propoxypropyl)pyridine-2-sulfonamide
CID 106074139
2,5-dimethoxy-N-(3-propoxypropyl)benzenesulfonamide
CID 4987407

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-N-(3-propoxypropyl)pyridine-3-sulfonamide?
The IUPAC name of 4-(ethylamino)-N-(3-propoxypropyl)pyridine-3-sulfonamide (CID 82947585) is 4-(ethylamino)-N-(3-propoxypropyl)pyridine-3-sulfonamide.
What is the SMILES notation for 4-(ethylamino)-N-(3-propoxypropyl)pyridine-3-sulfonamide?
The canonical SMILES for 4-(ethylamino)-N-(3-propoxypropyl)pyridine-3-sulfonamide is CCCOCCCNS(=O)(=O)c1cnccc1NCC.
What is the InChIKey of 4-(ethylamino)-N-(3-propoxypropyl)pyridine-3-sulfonamide?
The InChIKey is IOAHLZKPSOWPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3S/c1-3-9-19-10-5-7-16-20(17,18)13-11-14-8-6-12(13)15-4-2/h6,8,11,16H,3-5,7,9-10H2,1-2H3,(H,14,15).
What are the key properties of 4-(ethylamino)-N-(3-propoxypropyl)pyridine-3-sulfonamide?
4-(ethylamino)-N-(3-propoxypropyl)pyridine-3-sulfonamide has a molecular weight of 301.41 g/mol, XLogP of 1.61, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-N-(3-propoxypropyl)pyridine-3-sulfonamide is sourced from PubChem (CID 82947585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).