N-(propan-2-ylsulfamoyl)-1,2,3,4-tetrahydroquinolin-5-amine

C12H19N3O2S — CID 114807428

IUPACN-(propan-2-ylsulfamoyl)-1,2,3,4-tetrahydroquinolin-5-amine
SMILESCC(C)NS(=O)(=O)Nc1cccc2c1CCCN2
InChIInChI=1S/C12H19N3O2S/c1-9(2)14-18(16,17)15-12-7-3-6-11-10(12)5-4-8-13-11/h3,6-7,9,13-15H,4-5,8H2,1-2H3
InChIKeyXOIUPTSHCDBRQH-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.70
Rot. Bonds4

About N-(propan-2-ylsulfamoyl)-1,2,3,4-tetrahydroquinolin-5-amine

N-(propan-2-ylsulfamoyl)-1,2,3,4-tetrahydroquinolin-5-amine (PubChem CID 114807428) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-(propan-2-ylsulfamoyl)-1,2,3,4-tetrahydroquinolin-5-amine.

Molecular Properties

Compound NameN-(propan-2-ylsulfamoyl)-1,2,3,4-tetrahydroquinolin-5-amine
PubChem CID114807428
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC NameN-(propan-2-ylsulfamoyl)-1,2,3,4-tetrahydroquinolin-5-amine
SMILESCC(C)NS(=O)(=O)Nc1cccc2c1CCCN2
InChIInChI=1S/C12H19N3O2S/c1-9(2)14-18(16,17)15-12-7-3-6-11-10(12)5-4-8-13-11/h3,6-7,9,13-15H,4-5,8H2,1-2H3
InChIKeyXOIUPTSHCDBRQH-UHFFFAOYSA-N
XLogP1.70
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-(propan-2-ylsulfamoyl)-1,2,3,4-tetrahydroquinolin-5-amine 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-(propan-2-ylsulfamoyl)-1,2,3,4-tetrahydroquinolin-5-amine?
The IUPAC name of N-(propan-2-ylsulfamoyl)-1,2,3,4-tetrahydroquinolin-5-amine (CID 114807428) is N-(propan-2-ylsulfamoyl)-1,2,3,4-tetrahydroquinolin-5-amine.
What is the SMILES notation for N-(propan-2-ylsulfamoyl)-1,2,3,4-tetrahydroquinolin-5-amine?
The canonical SMILES for N-(propan-2-ylsulfamoyl)-1,2,3,4-tetrahydroquinolin-5-amine is CC(C)NS(=O)(=O)Nc1cccc2c1CCCN2.
What is the InChIKey of N-(propan-2-ylsulfamoyl)-1,2,3,4-tetrahydroquinolin-5-amine?
The InChIKey is XOIUPTSHCDBRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-9(2)14-18(16,17)15-12-7-3-6-11-10(12)5-4-8-13-11/h3,6-7,9,13-15H,4-5,8H2,1-2H3.
What are the key properties of N-(propan-2-ylsulfamoyl)-1,2,3,4-tetrahydroquinolin-5-amine?
N-(propan-2-ylsulfamoyl)-1,2,3,4-tetrahydroquinolin-5-amine has a molecular weight of 269.37 g/mol, XLogP of 1.70, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(propan-2-ylsulfamoyl)-1,2,3,4-tetrahydroquinolin-5-amine is sourced from PubChem (CID 114807428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).