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

C12H19N3O3S — CID 114816115

IUPAC3-amino-N-(2-methoxyethyl)-3,4-dihydro-2H-quinoline-1-sulfonamide
SMILESCOCCNS(=O)(=O)N1CC(N)Cc2ccccc21
InChIInChI=1S/C12H19N3O3S/c1-18-7-6-14-19(16,17)15-9-11(13)8-10-4-2-3-5-12(10)15/h2-5,11,14H,6-9,13H2,1H3
InChIKeyPJZMJFZHHYJZEP-UHFFFAOYSA-N
MW285.37 g/mol
LogP-0.14
Rot. Bonds5

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

3-amino-N-(2-methoxyethyl)-3,4-dihydro-2H-quinoline-1-sulfonamide (PubChem CID 114816115) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 3-amino-N-(2-methoxyethyl)-3,4-dihydro-2H-quinoline-1-sulfonamide.

Molecular Properties

Compound Name3-amino-N-(2-methoxyethyl)-3,4-dihydro-2H-quinoline-1-sulfonamide
PubChem CID114816115
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name3-amino-N-(2-methoxyethyl)-3,4-dihydro-2H-quinoline-1-sulfonamide
SMILESCOCCNS(=O)(=O)N1CC(N)Cc2ccccc21
InChIInChI=1S/C12H19N3O3S/c1-18-7-6-14-19(16,17)15-9-11(13)8-10-4-2-3-5-12(10)15/h2-5,11,14H,6-9,13H2,1H3
InChIKeyPJZMJFZHHYJZEP-UHFFFAOYSA-N
XLogP-0.14
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 ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-methoxyethyl)-3,4-dihydro-2H-quinoline-1-sulfonamide?
The IUPAC name of 3-amino-N-(2-methoxyethyl)-3,4-dihydro-2H-quinoline-1-sulfonamide (CID 114816115) is 3-amino-N-(2-methoxyethyl)-3,4-dihydro-2H-quinoline-1-sulfonamide.
What is the SMILES notation for 3-amino-N-(2-methoxyethyl)-3,4-dihydro-2H-quinoline-1-sulfonamide?
The canonical SMILES for 3-amino-N-(2-methoxyethyl)-3,4-dihydro-2H-quinoline-1-sulfonamide is COCCNS(=O)(=O)N1CC(N)Cc2ccccc21.
What is the InChIKey of 3-amino-N-(2-methoxyethyl)-3,4-dihydro-2H-quinoline-1-sulfonamide?
The InChIKey is PJZMJFZHHYJZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-18-7-6-14-19(16,17)15-9-11(13)8-10-4-2-3-5-12(10)15/h2-5,11,14H,6-9,13H2,1H3.
What are the key properties of 3-amino-N-(2-methoxyethyl)-3,4-dihydro-2H-quinoline-1-sulfonamide?
3-amino-N-(2-methoxyethyl)-3,4-dihydro-2H-quinoline-1-sulfonamide has a molecular weight of 285.37 g/mol, XLogP of -0.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-methoxyethyl)-3,4-dihydro-2H-quinoline-1-sulfonamide is sourced from PubChem (CID 114816115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).