6-amino-N,N-diethyl-3,4-dihydro-2H-quinoline-1-sulfonamide

C13H21N3O2S — CID 28783515

IUPAC6-amino-N,N-diethyl-3,4-dihydro-2H-quinoline-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCCc2cc(N)ccc21
InChIInChI=1S/C13H21N3O2S/c1-3-15(4-2)19(17,18)16-9-5-6-11-10-12(14)7-8-13(11)16/h7-8,10H,3-6,9,14H2,1-2H3
InChIKeyDXPGXHNHWVLONX-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.61
Rot. Bonds4

About 6-amino-N,N-diethyl-3,4-dihydro-2H-quinoline-1-sulfonamide

6-amino-N,N-diethyl-3,4-dihydro-2H-quinoline-1-sulfonamide (PubChem CID 28783515) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 6-amino-N,N-diethyl-3,4-dihydro-2H-quinoline-1-sulfonamide.

Molecular Properties

Compound Name6-amino-N,N-diethyl-3,4-dihydro-2H-quinoline-1-sulfonamide
PubChem CID28783515
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name6-amino-N,N-diethyl-3,4-dihydro-2H-quinoline-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCCc2cc(N)ccc21
InChIInChI=1S/C13H21N3O2S/c1-3-15(4-2)19(17,18)16-9-5-6-11-10-12(14)7-8-13(11)16/h7-8,10H,3-6,9,14H2,1-2H3
InChIKeyDXPGXHNHWVLONX-UHFFFAOYSA-N
XLogP1.61
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-amino-N,N-dimethyl-3,4-dihydro-2H-quinoline-1-sulfonamide
CID 28707191
methyl 2-[(6-amino-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]acetate
CID 61456955
5-amino-N-methyl-N-propan-2-yl-2,3-dihydroindole-1-sulfonamide
CID 54947295
1-(1-methylimidazol-4-yl)sulfonyl-3,4-dihydro-2H-quinolin-6-amine
CID 62374780
N,N-diethyl-5-oxo-3,4-dihydro-2H-1-benzazepine-1-sulfonamide
CID 114336702
1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-amine
CID 16642538
6-(2,2-dimethylpropyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline
CID 166559541
1-N,1-N-diethyl-2,3-dihydroindole-1,6-disulfonamide
CID 56806249
1-(3-bromothiophen-2-yl)sulfonyl-3,4-dihydro-2H-quinolin-6-amine
CID 61458101
5-amino-N,N-diethyl-2-pyrrolidin-1-ylbenzenesulfonamide
CID 28795814
1-(3,3-dimethylbutyl)-3,4-dihydro-2H-quinolin-6-amine
CID 54957573
7-amino-N-propyl-3,4-dihydro-2H-quinoline-1-sulfonamide
CID 114804730

Frequently Asked Questions

What is the IUPAC name of 6-amino-N,N-diethyl-3,4-dihydro-2H-quinoline-1-sulfonamide?
The IUPAC name of 6-amino-N,N-diethyl-3,4-dihydro-2H-quinoline-1-sulfonamide (CID 28783515) is 6-amino-N,N-diethyl-3,4-dihydro-2H-quinoline-1-sulfonamide.
What is the SMILES notation for 6-amino-N,N-diethyl-3,4-dihydro-2H-quinoline-1-sulfonamide?
The canonical SMILES for 6-amino-N,N-diethyl-3,4-dihydro-2H-quinoline-1-sulfonamide is CCN(CC)S(=O)(=O)N1CCCc2cc(N)ccc21.
What is the InChIKey of 6-amino-N,N-diethyl-3,4-dihydro-2H-quinoline-1-sulfonamide?
The InChIKey is DXPGXHNHWVLONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-3-15(4-2)19(17,18)16-9-5-6-11-10-12(14)7-8-13(11)16/h7-8,10H,3-6,9,14H2,1-2H3.
What are the key properties of 6-amino-N,N-diethyl-3,4-dihydro-2H-quinoline-1-sulfonamide?
6-amino-N,N-diethyl-3,4-dihydro-2H-quinoline-1-sulfonamide has a molecular weight of 283.40 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N,N-diethyl-3,4-dihydro-2H-quinoline-1-sulfonamide is sourced from PubChem (CID 28783515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).