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

C12H19N3O2S — CID 114807431

IUPACN-(propylsulfamoyl)-1,2,3,4-tetrahydroquinolin-5-amine
SMILESCCCNS(=O)(=O)Nc1cccc2c1CCCN2
InChIInChI=1S/C12H19N3O2S/c1-2-8-14-18(16,17)15-12-7-3-6-11-10(12)5-4-9-13-11/h3,6-7,13-15H,2,4-5,8-9H2,1H3
InChIKeyUFAGVWNVYRDYOG-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.70
Rot. Bonds5

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

N-(propylsulfamoyl)-1,2,3,4-tetrahydroquinolin-5-amine (PubChem CID 114807431) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-(propylsulfamoyl)-1,2,3,4-tetrahydroquinolin-5-amine.

Molecular Properties

Compound NameN-(propylsulfamoyl)-1,2,3,4-tetrahydroquinolin-5-amine
PubChem CID114807431
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC NameN-(propylsulfamoyl)-1,2,3,4-tetrahydroquinolin-5-amine
SMILESCCCNS(=O)(=O)Nc1cccc2c1CCCN2
InChIInChI=1S/C12H19N3O2S/c1-2-8-14-18(16,17)15-12-7-3-6-11-10(12)5-4-9-13-11/h3,6-7,13-15H,2,4-5,8-9H2,1H3
InChIKeyUFAGVWNVYRDYOG-UHFFFAOYSA-N
XLogP1.70
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
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

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Frequently Asked Questions

What is the IUPAC name of N-(propylsulfamoyl)-1,2,3,4-tetrahydroquinolin-5-amine?
The IUPAC name of N-(propylsulfamoyl)-1,2,3,4-tetrahydroquinolin-5-amine (CID 114807431) is N-(propylsulfamoyl)-1,2,3,4-tetrahydroquinolin-5-amine.
What is the SMILES notation for N-(propylsulfamoyl)-1,2,3,4-tetrahydroquinolin-5-amine?
The canonical SMILES for N-(propylsulfamoyl)-1,2,3,4-tetrahydroquinolin-5-amine is CCCNS(=O)(=O)Nc1cccc2c1CCCN2.
What is the InChIKey of N-(propylsulfamoyl)-1,2,3,4-tetrahydroquinolin-5-amine?
The InChIKey is UFAGVWNVYRDYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-2-8-14-18(16,17)15-12-7-3-6-11-10(12)5-4-9-13-11/h3,6-7,13-15H,2,4-5,8-9H2,1H3.
What are the key properties of N-(propylsulfamoyl)-1,2,3,4-tetrahydroquinolin-5-amine?
N-(propylsulfamoyl)-1,2,3,4-tetrahydroquinolin-5-amine has a molecular weight of 269.37 g/mol, XLogP of 1.70, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(propylsulfamoyl)-1,2,3,4-tetrahydroquinolin-5-amine is sourced from PubChem (CID 114807431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).