5-amino-N-(2-hydroxy-2-methylpropyl)-N-methylquinoline-8-sulfonamide

C14H19N3O3S — CID 104850488

IUPAC5-amino-N-(2-hydroxy-2-methylpropyl)-N-methylquinoline-8-sulfonamide
SMILESCN(CC(C)(C)O)S(=O)(=O)c1ccc(N)c2cccnc12
InChIInChI=1S/C14H19N3O3S/c1-14(2,18)9-17(3)21(19,20)12-7-6-11(15)10-5-4-8-16-13(10)12/h4-8,18H,9,15H2,1-3H3
InChIKeyYHIXWCRIGUMNIM-UHFFFAOYSA-N
MW309.39 g/mol
LogP1.21
Rot. Bonds4

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

5-amino-N-(2-hydroxy-2-methylpropyl)-N-methylquinoline-8-sulfonamide (PubChem CID 104850488) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 5-amino-N-(2-hydroxy-2-methylpropyl)-N-methylquinoline-8-sulfonamide.

Molecular Properties

Compound Name5-amino-N-(2-hydroxy-2-methylpropyl)-N-methylquinoline-8-sulfonamide
PubChem CID104850488
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name5-amino-N-(2-hydroxy-2-methylpropyl)-N-methylquinoline-8-sulfonamide
SMILESCN(CC(C)(C)O)S(=O)(=O)c1ccc(N)c2cccnc12
InChIInChI=1S/C14H19N3O3S/c1-14(2,18)9-17(3)21(19,20)12-7-6-11(15)10-5-4-8-16-13(10)12/h4-8,18H,9,15H2,1-3H3
InChIKeyYHIXWCRIGUMNIM-UHFFFAOYSA-N
XLogP1.21
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(2-hydroxy-2-methylpropyl)-N-methylnaphthalene-1-sulfonamide
CID 115944505
2-amino-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-sulfonamide
CID 79381363
5-amino-N-ethyl-N-(2-hydroxyethyl)quinoline-8-sulfonamide
CID 104850383
5-amino-N-butyl-N-ethylquinoline-8-sulfonamide
CID 104850310
5-amino-N-[2-(dimethylamino)ethyl]quinoline-8-sulfonamide
CID 104850286
N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-nitroquinoline-8-sulfonamide;hydrochloride
CID 120712188
5-amino-N-prop-2-enyl-N-propylquinoline-8-sulfonamide
CID 104850505
N-(3-amino-2,2-dimethylpropyl)-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 79652133
2-amino-N-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
CID 62146162
2-amino-N-(2-hydroxy-2-methylpropyl)-N-methyl-5-methylsulfonylbenzenesulfonamide
CID 79377506
5-amino-N-(4-hydroxypentan-2-yl)quinoline-8-sulfonamide
CID 104850522
N-[2-[(5-aminoquinolin-8-yl)sulfonylamino]ethyl]acetamide
CID 104850364

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-hydroxy-2-methylpropyl)-N-methylquinoline-8-sulfonamide?
The IUPAC name of 5-amino-N-(2-hydroxy-2-methylpropyl)-N-methylquinoline-8-sulfonamide (CID 104850488) is 5-amino-N-(2-hydroxy-2-methylpropyl)-N-methylquinoline-8-sulfonamide.
What is the SMILES notation for 5-amino-N-(2-hydroxy-2-methylpropyl)-N-methylquinoline-8-sulfonamide?
The canonical SMILES for 5-amino-N-(2-hydroxy-2-methylpropyl)-N-methylquinoline-8-sulfonamide is CN(CC(C)(C)O)S(=O)(=O)c1ccc(N)c2cccnc12.
What is the InChIKey of 5-amino-N-(2-hydroxy-2-methylpropyl)-N-methylquinoline-8-sulfonamide?
The InChIKey is YHIXWCRIGUMNIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-14(2,18)9-17(3)21(19,20)12-7-6-11(15)10-5-4-8-16-13(10)12/h4-8,18H,9,15H2,1-3H3.
What are the key properties of 5-amino-N-(2-hydroxy-2-methylpropyl)-N-methylquinoline-8-sulfonamide?
5-amino-N-(2-hydroxy-2-methylpropyl)-N-methylquinoline-8-sulfonamide has a molecular weight of 309.39 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-hydroxy-2-methylpropyl)-N-methylquinoline-8-sulfonamide is sourced from PubChem (CID 104850488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).