5-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]quinoline

C14H20N4O2S — CID 106057892

IUPAC5-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]quinoline
SMILESCNCCCN(C)S(=O)(=O)Nc1cccc2ncccc12
InChIInChI=1S/C14H20N4O2S/c1-15-9-5-11-18(2)21(19,20)17-14-8-3-7-13-12(14)6-4-10-16-13/h3-4,6-8,10,15,17H,5,9,11H2,1-2H3
InChIKeyKXHLGPOIZPSNKU-UHFFFAOYSA-N
MW308.41 g/mol
LogP1.43
Rot. Bonds7

About 5-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]quinoline

5-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]quinoline (PubChem CID 106057892) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 5-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]quinoline.

Molecular Properties

Compound Name5-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]quinoline
PubChem CID106057892
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name5-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]quinoline
SMILESCNCCCN(C)S(=O)(=O)Nc1cccc2ncccc12
InChIInChI=1S/C14H20N4O2S/c1-15-9-5-11-18(2)21(19,20)17-14-8-3-7-13-12(14)6-4-10-16-13/h3-4,6-8,10,15,17H,5,9,11H2,1-2H3
InChIKeyKXHLGPOIZPSNKU-UHFFFAOYSA-N
XLogP1.43
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.43
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

5-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]-1,2,3,4-tetrahydronaphthalene
CID 106057683
3-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-methylpyridine
CID 79042089
4-chloro-N-quinolin-5-ylbutane-1-sulfonamide
CID 116814822
2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]-1,3-thiazole
CID 106031702
2,3,4,5,6-pentamethyl-N-quinolin-5-ylbenzenesulfonamide
CID 3847613
1-phenyl-N-quinolin-5-ylmethanesulfonamide
CID 35282433
4-ethyl-N-quinolin-5-ylbenzenesulfonamide
CID 3753530
4-butyl-N-quinolin-5-ylbenzenesulfonamide
CID 3337546
N-methyl-2-quinolin-5-ylethanamine
CID 76694367
1-chloro-4-fluoro-2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene
CID 106088483
2-chloro-4-iodo-1-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene
CID 106006630
1-methoxy-4-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene
CID 106031237

Frequently Asked Questions

What is the IUPAC name of 5-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]quinoline?
The IUPAC name of 5-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]quinoline (CID 106057892) is 5-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]quinoline.
What is the SMILES notation for 5-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]quinoline?
The canonical SMILES for 5-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]quinoline is CNCCCN(C)S(=O)(=O)Nc1cccc2ncccc12.
What is the InChIKey of 5-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]quinoline?
The InChIKey is KXHLGPOIZPSNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-15-9-5-11-18(2)21(19,20)17-14-8-3-7-13-12(14)6-4-10-16-13/h3-4,6-8,10,15,17H,5,9,11H2,1-2H3.
What are the key properties of 5-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]quinoline?
5-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]quinoline has a molecular weight of 308.41 g/mol, XLogP of 1.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]quinoline is sourced from PubChem (CID 106057892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).