N-(1-aminopropan-2-yl)-N,3-dimethylquinoline-8-sulfonamide

C14H19N3O2S — CID 119982695

IUPACN-(1-aminopropan-2-yl)-N,3-dimethylquinoline-8-sulfonamide
SMILESCc1cnc2c(S(=O)(=O)N(C)C(C)CN)cccc2c1
InChIInChI=1S/C14H19N3O2S/c1-10-7-12-5-4-6-13(14(12)16-9-10)20(18,19)17(3)11(2)8-15/h4-7,9,11H,8,15H2,1-3H3
InChIKeyAMWZFAAMBFFPOH-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.51
Rot. Bonds4

About N-(1-aminopropan-2-yl)-N,3-dimethylquinoline-8-sulfonamide

N-(1-aminopropan-2-yl)-N,3-dimethylquinoline-8-sulfonamide (PubChem CID 119982695) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-N,3-dimethylquinoline-8-sulfonamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-N,3-dimethylquinoline-8-sulfonamide
PubChem CID119982695
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC NameN-(1-aminopropan-2-yl)-N,3-dimethylquinoline-8-sulfonamide
SMILESCc1cnc2c(S(=O)(=O)N(C)C(C)CN)cccc2c1
InChIInChI=1S/C14H19N3O2S/c1-10-7-12-5-4-6-13(14(12)16-9-10)20(18,19)17(3)11(2)8-15/h4-7,9,11H,8,15H2,1-3H3
InChIKeyAMWZFAAMBFFPOH-UHFFFAOYSA-N
XLogP1.51
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1-aminopropan-2-yl)-N,3-dimethylquinoline-8-sulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-N,3-dimethylquinoline-8-sulfonamide?
The IUPAC name of N-(1-aminopropan-2-yl)-N,3-dimethylquinoline-8-sulfonamide (CID 119982695) is N-(1-aminopropan-2-yl)-N,3-dimethylquinoline-8-sulfonamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-N,3-dimethylquinoline-8-sulfonamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-N,3-dimethylquinoline-8-sulfonamide is Cc1cnc2c(S(=O)(=O)N(C)C(C)CN)cccc2c1.
What is the InChIKey of N-(1-aminopropan-2-yl)-N,3-dimethylquinoline-8-sulfonamide?
The InChIKey is AMWZFAAMBFFPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-10-7-12-5-4-6-13(14(12)16-9-10)20(18,19)17(3)11(2)8-15/h4-7,9,11H,8,15H2,1-3H3.
What are the key properties of N-(1-aminopropan-2-yl)-N,3-dimethylquinoline-8-sulfonamide?
N-(1-aminopropan-2-yl)-N,3-dimethylquinoline-8-sulfonamide has a molecular weight of 293.39 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-N,3-dimethylquinoline-8-sulfonamide is sourced from PubChem (CID 119982695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).