5-amino-N-butyl-N-ethylquinoline-8-sulfonamide

C15H21N3O2S — CID 104850310

IUPAC5-amino-N-butyl-N-ethylquinoline-8-sulfonamide
SMILESCCCCN(CC)S(=O)(=O)c1ccc(N)c2cccnc12
InChIInChI=1S/C15H21N3O2S/c1-3-5-11-18(4-2)21(19,20)14-9-8-13(16)12-7-6-10-17-15(12)14/h6-10H,3-5,11,16H2,1-2H3
InChIKeyPPAHFRGSNFEPJS-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.63
Rot. Bonds6

About 5-amino-N-butyl-N-ethylquinoline-8-sulfonamide

5-amino-N-butyl-N-ethylquinoline-8-sulfonamide (PubChem CID 104850310) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 5-amino-N-butyl-N-ethylquinoline-8-sulfonamide.

Molecular Properties

Compound Name5-amino-N-butyl-N-ethylquinoline-8-sulfonamide
PubChem CID104850310
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name5-amino-N-butyl-N-ethylquinoline-8-sulfonamide
SMILESCCCCN(CC)S(=O)(=O)c1ccc(N)c2cccnc12
InChIInChI=1S/C15H21N3O2S/c1-3-5-11-18(4-2)21(19,20)14-9-8-13(16)12-7-6-10-17-15(12)14/h6-10H,3-5,11,16H2,1-2H3
InChIKeyPPAHFRGSNFEPJS-UHFFFAOYSA-N
XLogP2.63
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-ethyl-N-(2-hydroxyethyl)quinoline-8-sulfonamide
CID 104850383
5-amino-N-prop-2-enyl-N-propylquinoline-8-sulfonamide
CID 104850505
5-amino-N-(2-hydroxy-2-methylpropyl)-N-methylquinoline-8-sulfonamide
CID 104850488
N-butyl-N-ethyl-2-hydrazinylpyridine-3-sulfonamide
CID 43383623
8-[(dibutylamino)methyl]quinolin-5-amine
CID 43375839
5-amino-N-[2-(dimethylamino)ethyl]quinoline-8-sulfonamide
CID 104850286
5-amino-N-butyl-N-ethyl-1H-indole-3-sulfonamide
CID 64850889
3-(dibutylsulfamoyl)pyridine-2-carbothioamide
CID 106596522
2-(aminomethyl)-N,N-dibutylpyridine-3-sulfonamide
CID 106593797
N-ethyl-N-(2-hydroxyethyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 61170220
5-propylsulfonylquinolin-8-amine
CID 43449396
2-amino-N,N-diethylpyridine-3-sulfonamide
CID 62150875

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-butyl-N-ethylquinoline-8-sulfonamide?
The IUPAC name of 5-amino-N-butyl-N-ethylquinoline-8-sulfonamide (CID 104850310) is 5-amino-N-butyl-N-ethylquinoline-8-sulfonamide.
What is the SMILES notation for 5-amino-N-butyl-N-ethylquinoline-8-sulfonamide?
The canonical SMILES for 5-amino-N-butyl-N-ethylquinoline-8-sulfonamide is CCCCN(CC)S(=O)(=O)c1ccc(N)c2cccnc12.
What is the InChIKey of 5-amino-N-butyl-N-ethylquinoline-8-sulfonamide?
The InChIKey is PPAHFRGSNFEPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-3-5-11-18(4-2)21(19,20)14-9-8-13(16)12-7-6-10-17-15(12)14/h6-10H,3-5,11,16H2,1-2H3.
What are the key properties of 5-amino-N-butyl-N-ethylquinoline-8-sulfonamide?
5-amino-N-butyl-N-ethylquinoline-8-sulfonamide has a molecular weight of 307.42 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-butyl-N-ethylquinoline-8-sulfonamide is sourced from PubChem (CID 104850310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).