5-amino-N-(2-methoxyethyl)-3,4-dihydro-2H-quinoline-1-sulfonamide

C12H19N3O3S — CID 114816015

IUPAC5-amino-N-(2-methoxyethyl)-3,4-dihydro-2H-quinoline-1-sulfonamide
SMILESCOCCNS(=O)(=O)N1CCCc2c(N)cccc21
InChIInChI=1S/C12H19N3O3S/c1-18-9-7-14-19(16,17)15-8-3-4-10-11(13)5-2-6-12(10)15/h2,5-6,14H,3-4,7-9,13H2,1H3
InChIKeyQHWJOUARPASBMI-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.50
Rot. Bonds5

About 5-amino-N-(2-methoxyethyl)-3,4-dihydro-2H-quinoline-1-sulfonamide

5-amino-N-(2-methoxyethyl)-3,4-dihydro-2H-quinoline-1-sulfonamide (PubChem CID 114816015) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 5-amino-N-(2-methoxyethyl)-3,4-dihydro-2H-quinoline-1-sulfonamide.

Molecular Properties

Compound Name5-amino-N-(2-methoxyethyl)-3,4-dihydro-2H-quinoline-1-sulfonamide
PubChem CID114816015
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name5-amino-N-(2-methoxyethyl)-3,4-dihydro-2H-quinoline-1-sulfonamide
SMILESCOCCNS(=O)(=O)N1CCCc2c(N)cccc21
InChIInChI=1S/C12H19N3O3S/c1-18-9-7-14-19(16,17)15-8-3-4-10-11(13)5-2-6-12(10)15/h2,5-6,14H,3-4,7-9,13H2,1H3
InChIKeyQHWJOUARPASBMI-UHFFFAOYSA-N
XLogP0.50
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-methoxyethyl)-3,4-dihydro-2H-quinoline-1-sulfonamide?
The IUPAC name of 5-amino-N-(2-methoxyethyl)-3,4-dihydro-2H-quinoline-1-sulfonamide (CID 114816015) is 5-amino-N-(2-methoxyethyl)-3,4-dihydro-2H-quinoline-1-sulfonamide.
What is the SMILES notation for 5-amino-N-(2-methoxyethyl)-3,4-dihydro-2H-quinoline-1-sulfonamide?
The canonical SMILES for 5-amino-N-(2-methoxyethyl)-3,4-dihydro-2H-quinoline-1-sulfonamide is COCCNS(=O)(=O)N1CCCc2c(N)cccc21.
What is the InChIKey of 5-amino-N-(2-methoxyethyl)-3,4-dihydro-2H-quinoline-1-sulfonamide?
The InChIKey is QHWJOUARPASBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-18-9-7-14-19(16,17)15-8-3-4-10-11(13)5-2-6-12(10)15/h2,5-6,14H,3-4,7-9,13H2,1H3.
What are the key properties of 5-amino-N-(2-methoxyethyl)-3,4-dihydro-2H-quinoline-1-sulfonamide?
5-amino-N-(2-methoxyethyl)-3,4-dihydro-2H-quinoline-1-sulfonamide has a molecular weight of 285.37 g/mol, XLogP of 0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-methoxyethyl)-3,4-dihydro-2H-quinoline-1-sulfonamide is sourced from PubChem (CID 114816015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).