5-N-(propylsulfamoyl)quinoline-5,8-diamine

C12H16N4O2S — CID 114804992

IUPAC5-N-(propylsulfamoyl)quinoline-5,8-diamine
SMILESCCCNS(=O)(=O)Nc1ccc(N)c2ncccc12
InChIInChI=1S/C12H16N4O2S/c1-2-7-15-19(17,18)16-11-6-5-10(13)12-9(11)4-3-8-14-12/h3-6,8,15-16H,2,7,13H2,1H3
InChIKeyVIZYFQFHWVKBFZ-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.47
Rot. Bonds5

About 5-N-(propylsulfamoyl)quinoline-5,8-diamine

5-N-(propylsulfamoyl)quinoline-5,8-diamine (PubChem CID 114804992) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is 5-N-(propylsulfamoyl)quinoline-5,8-diamine.

Molecular Properties

Compound Name5-N-(propylsulfamoyl)quinoline-5,8-diamine
PubChem CID114804992
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Name5-N-(propylsulfamoyl)quinoline-5,8-diamine
SMILESCCCNS(=O)(=O)Nc1ccc(N)c2ncccc12
InChIInChI=1S/C12H16N4O2S/c1-2-7-15-19(17,18)16-11-6-5-10(13)12-9(11)4-3-8-14-12/h3-6,8,15-16H,2,7,13H2,1H3
InChIKeyVIZYFQFHWVKBFZ-UHFFFAOYSA-N
XLogP1.47
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(8-aminoquinolin-5-yl)benzenesulfonamide
CID 104826550
N-(8-aminoquinolin-5-yl)-2-propylpentanamide
CID 104826496
N-(8-aminoquinolin-5-yl)-2-propan-2-yloxyethanesulfonamide
CID 104826554
N-(8-aminoquinolin-5-yl)-5-methylthiophene-2-sulfonamide
CID 104826570
3-(propylsulfamoylamino)pyridine-2-carboxylic acid
CID 114807104
5-propylsulfonylquinolin-8-amine
CID 43449396
5-N-[2-(diethylamino)ethyl]quinoline-5,8-diamine
CID 43449423
5-N-octan-4-ylquinoline-5,8-diamine
CID 106022461
5-N-(2-ethoxy-2-methylpropyl)quinoline-5,8-diamine
CID 114940553
3-[(8-aminoquinolin-5-yl)amino]-N,2,2-trimethylpropanamide
CID 106275334
5-N-[1-(dimethylamino)propan-2-yl]quinoline-5,8-diamine
CID 82945198
3-[(8-aminoquinolin-5-yl)amino]-2,2-dimethylpropanamide
CID 106275119

Frequently Asked Questions

What is the IUPAC name of 5-N-(propylsulfamoyl)quinoline-5,8-diamine?
The IUPAC name of 5-N-(propylsulfamoyl)quinoline-5,8-diamine (CID 114804992) is 5-N-(propylsulfamoyl)quinoline-5,8-diamine.
What is the SMILES notation for 5-N-(propylsulfamoyl)quinoline-5,8-diamine?
The canonical SMILES for 5-N-(propylsulfamoyl)quinoline-5,8-diamine is CCCNS(=O)(=O)Nc1ccc(N)c2ncccc12.
What is the InChIKey of 5-N-(propylsulfamoyl)quinoline-5,8-diamine?
The InChIKey is VIZYFQFHWVKBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-2-7-15-19(17,18)16-11-6-5-10(13)12-9(11)4-3-8-14-12/h3-6,8,15-16H,2,7,13H2,1H3.
What are the key properties of 5-N-(propylsulfamoyl)quinoline-5,8-diamine?
5-N-(propylsulfamoyl)quinoline-5,8-diamine has a molecular weight of 280.35 g/mol, XLogP of 1.47, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(propylsulfamoyl)quinoline-5,8-diamine is sourced from PubChem (CID 114804992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).