2-(ethylamino)-N-octan-2-ylpyridine-3-sulfonamide

C15H27N3O2S — CID 63473663

IUPAC2-(ethylamino)-N-octan-2-ylpyridine-3-sulfonamide
SMILESCCCCCCC(C)NS(=O)(=O)c1cccnc1NCC
InChIInChI=1S/C15H27N3O2S/c1-4-6-7-8-10-13(3)18-21(19,20)14-11-9-12-17-15(14)16-5-2/h9,11-13,18H,4-8,10H2,1-3H3,(H,16,17)
InChIKeyGYINPVCJEWKOGK-UHFFFAOYSA-N
MW313.47 g/mol
LogP3.15
Rot. Bonds10

About 2-(ethylamino)-N-octan-2-ylpyridine-3-sulfonamide

2-(ethylamino)-N-octan-2-ylpyridine-3-sulfonamide (PubChem CID 63473663) has the molecular formula C15H27N3O2S and a molecular weight of 313.47 g/mol. Its IUPAC name is 2-(ethylamino)-N-octan-2-ylpyridine-3-sulfonamide.

Molecular Properties

Compound Name2-(ethylamino)-N-octan-2-ylpyridine-3-sulfonamide
PubChem CID63473663
Molecular FormulaC15H27N3O2S
Molecular Weight313.47 g/mol
Exact Mass313.18
IUPAC Name2-(ethylamino)-N-octan-2-ylpyridine-3-sulfonamide
SMILESCCCCCCC(C)NS(=O)(=O)c1cccnc1NCC
InChIInChI=1S/C15H27N3O2S/c1-4-6-7-8-10-13(3)18-21(19,20)14-11-9-12-17-15(14)16-5-2/h9,11-13,18H,4-8,10H2,1-3H3,(H,16,17)
InChIKeyGYINPVCJEWKOGK-UHFFFAOYSA-N
XLogP3.15
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 53.15
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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Related Compounds

N-pentan-2-yl-2-(propylamino)pyridine-3-sulfonamide
CID 55044262
N-(5-methylhexan-2-yl)-2-(propylamino)pyridine-3-sulfonamide
CID 63925751
2-(ethylamino)-N-pentylpyridine-3-sulfonamide
CID 62162989
2-hydroxy-N-octan-2-ylbenzenesulfonamide
CID 81241205
3-fluoro-N-octan-2-ylpyridine-2-sulfonamide
CID 103299597
2-(ethylamino)-N-(1-pyridin-2-ylethyl)pyridine-3-sulfonamide
CID 62145879
N-heptan-2-yl-3-(methylamino)pyridine-2-sulfonamide
CID 103305626
2-(methylaminomethyl)-N-octan-2-ylbenzenesulfonamide
CID 106008883
2-(methylamino)-N-(4-methylsulfanylbutan-2-yl)pyridine-3-sulfonamide
CID 113478168
2-nitro-N-octan-2-ylbenzenesulfonamide
CID 19684217
N-(4-methylpentyl)-2-(propylamino)pyridine-3-sulfonamide
CID 63003516
N-(2,2-dimethylpropyl)-2-(ethylamino)pyridine-3-sulfonamide
CID 62147776

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-octan-2-ylpyridine-3-sulfonamide?
The IUPAC name of 2-(ethylamino)-N-octan-2-ylpyridine-3-sulfonamide (CID 63473663) is 2-(ethylamino)-N-octan-2-ylpyridine-3-sulfonamide.
What is the SMILES notation for 2-(ethylamino)-N-octan-2-ylpyridine-3-sulfonamide?
The canonical SMILES for 2-(ethylamino)-N-octan-2-ylpyridine-3-sulfonamide is CCCCCCC(C)NS(=O)(=O)c1cccnc1NCC.
What is the InChIKey of 2-(ethylamino)-N-octan-2-ylpyridine-3-sulfonamide?
The InChIKey is GYINPVCJEWKOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2S/c1-4-6-7-8-10-13(3)18-21(19,20)14-11-9-12-17-15(14)16-5-2/h9,11-13,18H,4-8,10H2,1-3H3,(H,16,17).
What are the key properties of 2-(ethylamino)-N-octan-2-ylpyridine-3-sulfonamide?
2-(ethylamino)-N-octan-2-ylpyridine-3-sulfonamide has a molecular weight of 313.47 g/mol, XLogP of 3.15, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-octan-2-ylpyridine-3-sulfonamide is sourced from PubChem (CID 63473663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).