7-amino-N,N-dimethyl-3,4-dihydro-2H-quinoline-1-sulfonamide

C11H17N3O2S — CID 28707191

IUPAC7-amino-N,N-dimethyl-3,4-dihydro-2H-quinoline-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCCc2ccc(N)cc21
InChIInChI=1S/C11H17N3O2S/c1-13(2)17(15,16)14-7-3-4-9-5-6-10(12)8-11(9)14/h5-6,8H,3-4,7,12H2,1-2H3
InChIKeyWIGJLATVAYYGRC-UHFFFAOYSA-N
MW255.34 g/mol
LogP0.83
Rot. Bonds2

About 7-amino-N,N-dimethyl-3,4-dihydro-2H-quinoline-1-sulfonamide

7-amino-N,N-dimethyl-3,4-dihydro-2H-quinoline-1-sulfonamide (PubChem CID 28707191) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 7-amino-N,N-dimethyl-3,4-dihydro-2H-quinoline-1-sulfonamide.

Molecular Properties

Compound Name7-amino-N,N-dimethyl-3,4-dihydro-2H-quinoline-1-sulfonamide
PubChem CID28707191
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name7-amino-N,N-dimethyl-3,4-dihydro-2H-quinoline-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCCc2ccc(N)cc21
InChIInChI=1S/C11H17N3O2S/c1-13(2)17(15,16)14-7-3-4-9-5-6-10(12)8-11(9)14/h5-6,8H,3-4,7,12H2,1-2H3
InChIKeyWIGJLATVAYYGRC-UHFFFAOYSA-N
XLogP0.83
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.83
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

N,N-dimethyl-7-nitro-3,4-dihydro-2H-quinoline-1-sulfonamide
CID 110291960
7-amino-N-propyl-3,4-dihydro-2H-quinoline-1-sulfonamide
CID 114804730
6-amino-N,N-diethyl-3,4-dihydro-2H-quinoline-1-sulfonamide
CID 28783515
ethyl N-[(7-amino-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]carbamate
CID 114461698
1-(3-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-amine
CID 62267076
1-(3-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-amine
CID 62266376
1-(5-bromo-3-methyltriazol-4-yl)sulfonyl-3,4-dihydro-2H-quinolin-7-amine
CID 106465544
1-(7-amino-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 28707153
ethyl 7-amino-3,4-dihydro-2H-quinoline-1-carboxylate
CID 62265682
5-amino-N-methyl-N-propan-2-yl-2,3-dihydroindole-1-sulfonamide
CID 54947295
1-(2-methylbutan-2-yl)-3,4-dihydro-2H-quinolin-7-amine
CID 170315346
(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-methylthiolan-2-yl)methanone
CID 81456783

Frequently Asked Questions

What is the IUPAC name of 7-amino-N,N-dimethyl-3,4-dihydro-2H-quinoline-1-sulfonamide?
The IUPAC name of 7-amino-N,N-dimethyl-3,4-dihydro-2H-quinoline-1-sulfonamide (CID 28707191) is 7-amino-N,N-dimethyl-3,4-dihydro-2H-quinoline-1-sulfonamide.
What is the SMILES notation for 7-amino-N,N-dimethyl-3,4-dihydro-2H-quinoline-1-sulfonamide?
The canonical SMILES for 7-amino-N,N-dimethyl-3,4-dihydro-2H-quinoline-1-sulfonamide is CN(C)S(=O)(=O)N1CCCc2ccc(N)cc21.
What is the InChIKey of 7-amino-N,N-dimethyl-3,4-dihydro-2H-quinoline-1-sulfonamide?
The InChIKey is WIGJLATVAYYGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-13(2)17(15,16)14-7-3-4-9-5-6-10(12)8-11(9)14/h5-6,8H,3-4,7,12H2,1-2H3.
What are the key properties of 7-amino-N,N-dimethyl-3,4-dihydro-2H-quinoline-1-sulfonamide?
7-amino-N,N-dimethyl-3,4-dihydro-2H-quinoline-1-sulfonamide has a molecular weight of 255.34 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N,N-dimethyl-3,4-dihydro-2H-quinoline-1-sulfonamide is sourced from PubChem (CID 28707191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).