3-[[3-aminopropyl(methyl)sulfamoyl]amino]quinoline

C13H18N4O2S — CID 62782128

IUPAC3-[[3-aminopropyl(methyl)sulfamoyl]amino]quinoline
SMILESCN(CCCN)S(=O)(=O)Nc1cnc2ccccc2c1
InChIInChI=1S/C13H18N4O2S/c1-17(8-4-7-14)20(18,19)16-12-9-11-5-2-3-6-13(11)15-10-12/h2-3,5-6,9-10,16H,4,7-8,14H2,1H3
InChIKeyYFNGGVIMKQIYQD-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.17
Rot. Bonds6

About 3-[[3-aminopropyl(methyl)sulfamoyl]amino]quinoline

3-[[3-aminopropyl(methyl)sulfamoyl]amino]quinoline (PubChem CID 62782128) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is 3-[[3-aminopropyl(methyl)sulfamoyl]amino]quinoline.

Molecular Properties

Compound Name3-[[3-aminopropyl(methyl)sulfamoyl]amino]quinoline
PubChem CID62782128
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Name3-[[3-aminopropyl(methyl)sulfamoyl]amino]quinoline
SMILESCN(CCCN)S(=O)(=O)Nc1cnc2ccccc2c1
InChIInChI=1S/C13H18N4O2S/c1-17(8-4-7-14)20(18,19)16-12-9-11-5-2-3-6-13(11)15-10-12/h2-3,5-6,9-10,16H,4,7-8,14H2,1H3
InChIKeyYFNGGVIMKQIYQD-UHFFFAOYSA-N
XLogP1.17
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[3-aminopropyl(methyl)sulfamoyl]amino]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-hydroxy-N-quinolin-3-ylpropane-2-sulfonamide
CID 114133809
4-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-methoxypyridine
CID 112739513
5-[[3-aminopropyl(methyl)sulfamoyl]amino]-1-benzothiophene
CID 106003745
1-[[3-aminopropyl(methyl)sulfamoyl]amino]-3,5-dichlorobenzene
CID 106058979
ethane;N-quinolin-3-ylbenzenesulfonamide
CID 90950237
1-[[3-aminopropyl(methyl)sulfamoyl]amino]-4-ethylbenzene
CID 54952240
3-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-methylpyridine
CID 79042089
1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-methoxybenzene
CID 54952343
2,3,4,5,6-pentamethyl-N-quinolin-3-ylbenzenesulfonamide
CID 3863946
3-[[3-aminopropyl(methyl)sulfamoyl]amino]pyridazine
CID 116786561
2-[[3-aminopropyl(methyl)sulfamoyl]amino]-1,3-dichlorobenzene
CID 114141477
4-bromo-2-ethyl-N-quinolin-3-ylbenzenesulfonamide
CID 3814344

Frequently Asked Questions

What is the IUPAC name of 3-[[3-aminopropyl(methyl)sulfamoyl]amino]quinoline?
The IUPAC name of 3-[[3-aminopropyl(methyl)sulfamoyl]amino]quinoline (CID 62782128) is 3-[[3-aminopropyl(methyl)sulfamoyl]amino]quinoline.
What is the SMILES notation for 3-[[3-aminopropyl(methyl)sulfamoyl]amino]quinoline?
The canonical SMILES for 3-[[3-aminopropyl(methyl)sulfamoyl]amino]quinoline is CN(CCCN)S(=O)(=O)Nc1cnc2ccccc2c1.
What is the InChIKey of 3-[[3-aminopropyl(methyl)sulfamoyl]amino]quinoline?
The InChIKey is YFNGGVIMKQIYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-17(8-4-7-14)20(18,19)16-12-9-11-5-2-3-6-13(11)15-10-12/h2-3,5-6,9-10,16H,4,7-8,14H2,1H3.
What are the key properties of 3-[[3-aminopropyl(methyl)sulfamoyl]amino]quinoline?
3-[[3-aminopropyl(methyl)sulfamoyl]amino]quinoline has a molecular weight of 294.38 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-aminopropyl(methyl)sulfamoyl]amino]quinoline is sourced from PubChem (CID 62782128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).