2-amino-N-(2-methoxypropyl)quinoline-6-sulfonamide

C13H17N3O3S — CID 102700466

IUPAC2-amino-N-(2-methoxypropyl)quinoline-6-sulfonamide
SMILESCOC(C)CNS(=O)(=O)c1ccc2nc(N)ccc2c1
InChIInChI=1S/C13H17N3O3S/c1-9(19-2)8-15-20(17,18)11-4-5-12-10(7-11)3-6-13(14)16-12/h3-7,9,15H,8H2,1-2H3,(H2,14,16)
InChIKeyVHIVLUOYLXWFQJ-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.13
Rot. Bonds5

About 2-amino-N-(2-methoxypropyl)quinoline-6-sulfonamide

2-amino-N-(2-methoxypropyl)quinoline-6-sulfonamide (PubChem CID 102700466) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 2-amino-N-(2-methoxypropyl)quinoline-6-sulfonamide.

Molecular Properties

Compound Name2-amino-N-(2-methoxypropyl)quinoline-6-sulfonamide
PubChem CID102700466
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name2-amino-N-(2-methoxypropyl)quinoline-6-sulfonamide
SMILESCOC(C)CNS(=O)(=O)c1ccc2nc(N)ccc2c1
InChIInChI=1S/C13H17N3O3S/c1-9(19-2)8-15-20(17,18)11-4-5-12-10(7-11)3-6-13(14)16-12/h3-7,9,15H,8H2,1-2H3,(H2,14,16)
InChIKeyVHIVLUOYLXWFQJ-UHFFFAOYSA-N
XLogP1.13
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-(3-methylbutyl)quinoline-6-sulfonamide
CID 62149054
2-amino-N-(4-methoxybutyl)quinoline-6-sulfonamide
CID 62157318
2-amino-N-butylquinoline-6-sulfonamide
CID 62148529
2-chloro-N-(2,3-dimethylbutyl)quinoline-6-sulfonamide
CID 64570321
2-amino-N-(2-methoxypropyl)pyrimidine-5-sulfonamide
CID 102700480
5-(2-methoxypropylsulfamoyl)-2-methylbenzoic acid
CID 102695710
2-amino-N-(thiophen-2-ylmethyl)quinoline-6-sulfonamide
CID 62143229
2-amino-N-(1,3-thiazol-4-ylmethyl)quinoline-6-sulfonamide
CID 63823461
3-fluoro-N-(2-methoxypropyl)benzenesulfonamide
CID 102697449
N-(2-methoxypropyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 102697434
N-(2,2-difluoroethyl)-2-(methylamino)quinoline-6-sulfonamide
CID 115408548
4-(chloromethyl)-N-(2-methoxypropyl)-3-methylbenzenesulfonamide
CID 112737391

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-methoxypropyl)quinoline-6-sulfonamide?
The IUPAC name of 2-amino-N-(2-methoxypropyl)quinoline-6-sulfonamide (CID 102700466) is 2-amino-N-(2-methoxypropyl)quinoline-6-sulfonamide.
What is the SMILES notation for 2-amino-N-(2-methoxypropyl)quinoline-6-sulfonamide?
The canonical SMILES for 2-amino-N-(2-methoxypropyl)quinoline-6-sulfonamide is COC(C)CNS(=O)(=O)c1ccc2nc(N)ccc2c1.
What is the InChIKey of 2-amino-N-(2-methoxypropyl)quinoline-6-sulfonamide?
The InChIKey is VHIVLUOYLXWFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-9(19-2)8-15-20(17,18)11-4-5-12-10(7-11)3-6-13(14)16-12/h3-7,9,15H,8H2,1-2H3,(H2,14,16).
What are the key properties of 2-amino-N-(2-methoxypropyl)quinoline-6-sulfonamide?
2-amino-N-(2-methoxypropyl)quinoline-6-sulfonamide has a molecular weight of 295.36 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-methoxypropyl)quinoline-6-sulfonamide is sourced from PubChem (CID 102700466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).