N-(8-aminoquinolin-5-yl)-2-propan-2-yloxyethanesulfonamide

C14H19N3O3S — CID 104826554

IUPACN-(8-aminoquinolin-5-yl)-2-propan-2-yloxyethanesulfonamide
SMILESCC(C)OCCS(=O)(=O)Nc1ccc(N)c2ncccc12
InChIInChI=1S/C14H19N3O3S/c1-10(2)20-8-9-21(18,19)17-13-6-5-12(15)14-11(13)4-3-7-16-14/h3-7,10,17H,8-9,15H2,1-2H3
InChIKeyFFBDMWYQRDYYOU-UHFFFAOYSA-N
MW309.39 g/mol
LogP1.98
Rot. Bonds6

About N-(8-aminoquinolin-5-yl)-2-propan-2-yloxyethanesulfonamide

N-(8-aminoquinolin-5-yl)-2-propan-2-yloxyethanesulfonamide (PubChem CID 104826554) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is N-(8-aminoquinolin-5-yl)-2-propan-2-yloxyethanesulfonamide.

Molecular Properties

Compound NameN-(8-aminoquinolin-5-yl)-2-propan-2-yloxyethanesulfonamide
PubChem CID104826554
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC NameN-(8-aminoquinolin-5-yl)-2-propan-2-yloxyethanesulfonamide
SMILESCC(C)OCCS(=O)(=O)Nc1ccc(N)c2ncccc12
InChIInChI=1S/C14H19N3O3S/c1-10(2)20-8-9-21(18,19)17-13-6-5-12(15)14-11(13)4-3-7-16-14/h3-7,10,17H,8-9,15H2,1-2H3
InChIKeyFFBDMWYQRDYYOU-UHFFFAOYSA-N
XLogP1.98
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.98
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

5-N-(propylsulfamoyl)quinoline-5,8-diamine
CID 114804992
N-(2-amino-5-fluorophenyl)-2-propan-2-yloxyethanesulfonamide
CID 79594056
N-(2-amino-4-hydroxyphenyl)-2-propan-2-yloxyethanesulfonamide
CID 107697822
N-(8-aminoquinolin-5-yl)benzenesulfonamide
CID 104826550
N-(4-amino-2-chlorophenyl)-2-propan-2-yloxyethanesulfonamide
CID 79593923
3-chloro-N-(8-methylquinolin-5-yl)propane-1-sulfonamide
CID 54877715
5-N-[1-(dimethylamino)propan-2-yl]quinoline-5,8-diamine
CID 82945198
N-(8-aminoquinolin-5-yl)-5-methylthiophene-2-sulfonamide
CID 104826570
2-methyl-3-(2-propan-2-yloxyethylsulfonylamino)benzenesulfonamide
CID 79593105
5-N-(2-cyclopropylpropyl)quinoline-5,8-diamine
CID 113474938
5-N-(5-methylhexyl)quinoline-5,8-diamine
CID 115324702
N-(2-amino-6-fluorophenyl)-2-propan-2-yloxyethanesulfonamide
CID 81310210

Frequently Asked Questions

What is the IUPAC name of N-(8-aminoquinolin-5-yl)-2-propan-2-yloxyethanesulfonamide?
The IUPAC name of N-(8-aminoquinolin-5-yl)-2-propan-2-yloxyethanesulfonamide (CID 104826554) is N-(8-aminoquinolin-5-yl)-2-propan-2-yloxyethanesulfonamide.
What is the SMILES notation for N-(8-aminoquinolin-5-yl)-2-propan-2-yloxyethanesulfonamide?
The canonical SMILES for N-(8-aminoquinolin-5-yl)-2-propan-2-yloxyethanesulfonamide is CC(C)OCCS(=O)(=O)Nc1ccc(N)c2ncccc12.
What is the InChIKey of N-(8-aminoquinolin-5-yl)-2-propan-2-yloxyethanesulfonamide?
The InChIKey is FFBDMWYQRDYYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-10(2)20-8-9-21(18,19)17-13-6-5-12(15)14-11(13)4-3-7-16-14/h3-7,10,17H,8-9,15H2,1-2H3.
What are the key properties of N-(8-aminoquinolin-5-yl)-2-propan-2-yloxyethanesulfonamide?
N-(8-aminoquinolin-5-yl)-2-propan-2-yloxyethanesulfonamide has a molecular weight of 309.39 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-aminoquinolin-5-yl)-2-propan-2-yloxyethanesulfonamide is sourced from PubChem (CID 104826554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).