N-(2-amino-2-methylpropyl)-8-methylquinoline-5-sulfonamide;hydrochloride

C14H20ClN3O2S — CID 84591258

IUPACN-(2-amino-2-methylpropyl)-8-methylquinoline-5-sulfonamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)NCC(C)(C)N)c2cccnc12.Cl
InChIInChI=1S/C14H19N3O2S.ClH/c1-10-6-7-12(11-5-4-8-16-13(10)11)20(18,19)17-9-14(2,3)15;/h4-8,17H,9,15H2,1-3H3;1H
InChIKeyHMTYEUAJNZJQLZ-UHFFFAOYSA-N
MW329.85 g/mol
LogP1.98
Rot. Bonds4

About N-(2-amino-2-methylpropyl)-8-methylquinoline-5-sulfonamide;hydrochloride

N-(2-amino-2-methylpropyl)-8-methylquinoline-5-sulfonamide;hydrochloride (PubChem CID 84591258) has the molecular formula C14H20ClN3O2S and a molecular weight of 329.85 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-8-methylquinoline-5-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-8-methylquinoline-5-sulfonamide;hydrochloride
PubChem CID84591258
Molecular FormulaC14H20ClN3O2S
Molecular Weight329.85 g/mol
Exact Mass329.10
IUPAC NameN-(2-amino-2-methylpropyl)-8-methylquinoline-5-sulfonamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)NCC(C)(C)N)c2cccnc12.Cl
InChIInChI=1S/C14H19N3O2S.ClH/c1-10-6-7-12(11-5-4-8-16-13(10)11)20(18,19)17-9-14(2,3)15;/h4-8,17H,9,15H2,1-3H3;1H
InChIKeyHMTYEUAJNZJQLZ-UHFFFAOYSA-N
XLogP1.98
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.85
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-amino-2-methylpropyl)-8-methylquinoline-5-sulfonamide;hydrochloride 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-(2-amino-2-methylpropyl)-8-methylquinoline-5-sulfonamide;hydrochloride?
The IUPAC name of N-(2-amino-2-methylpropyl)-8-methylquinoline-5-sulfonamide;hydrochloride (CID 84591258) is N-(2-amino-2-methylpropyl)-8-methylquinoline-5-sulfonamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-8-methylquinoline-5-sulfonamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-methylpropyl)-8-methylquinoline-5-sulfonamide;hydrochloride is Cc1ccc(S(=O)(=O)NCC(C)(C)N)c2cccnc12.Cl.
What is the InChIKey of N-(2-amino-2-methylpropyl)-8-methylquinoline-5-sulfonamide;hydrochloride?
The InChIKey is HMTYEUAJNZJQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S.ClH/c1-10-6-7-12(11-5-4-8-16-13(10)11)20(18,19)17-9-14(2,3)15;/h4-8,17H,9,15H2,1-3H3;1H.
What are the key properties of N-(2-amino-2-methylpropyl)-8-methylquinoline-5-sulfonamide;hydrochloride?
N-(2-amino-2-methylpropyl)-8-methylquinoline-5-sulfonamide;hydrochloride has a molecular weight of 329.85 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-8-methylquinoline-5-sulfonamide;hydrochloride is sourced from PubChem (CID 84591258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).