5-amino-N-[2-(dimethylamino)ethyl]quinoline-8-sulfonamide

C13H18N4O2S — CID 104850286

IUPAC5-amino-N-[2-(dimethylamino)ethyl]quinoline-8-sulfonamide
SMILESCN(C)CCNS(=O)(=O)c1ccc(N)c2cccnc12
InChIInChI=1S/C13H18N4O2S/c1-17(2)9-8-16-20(18,19)12-6-5-11(14)10-4-3-7-15-13(10)12/h3-7,16H,8-9,14H2,1-2H3
InChIKeyIXGGORWUFMFXSM-UHFFFAOYSA-N
MW294.38 g/mol
LogP0.66
Rot. Bonds5

About 5-amino-N-[2-(dimethylamino)ethyl]quinoline-8-sulfonamide

5-amino-N-[2-(dimethylamino)ethyl]quinoline-8-sulfonamide (PubChem CID 104850286) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is 5-amino-N-[2-(dimethylamino)ethyl]quinoline-8-sulfonamide.

Molecular Properties

Compound Name5-amino-N-[2-(dimethylamino)ethyl]quinoline-8-sulfonamide
PubChem CID104850286
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Name5-amino-N-[2-(dimethylamino)ethyl]quinoline-8-sulfonamide
SMILESCN(C)CCNS(=O)(=O)c1ccc(N)c2cccnc12
InChIInChI=1S/C13H18N4O2S/c1-17(2)9-8-16-20(18,19)12-6-5-11(14)10-4-3-7-15-13(10)12/h3-7,16H,8-9,14H2,1-2H3
InChIKeyIXGGORWUFMFXSM-UHFFFAOYSA-N
XLogP0.66
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(5-aminoquinolin-8-yl)sulfonylamino]ethyl]acetamide
CID 104850364
methyl 3-[(5-aminoquinolin-8-yl)sulfonylamino]propanoate
CID 104850376
4-[(5-aminoquinolin-8-yl)sulfonylamino]butanamide
CID 104850380
5-amino-N-(1,2-oxazol-5-ylmethyl)quinoline-8-sulfonamide
CID 106413888
5-amino-N-(cyclopentylmethyl)quinoline-8-sulfonamide
CID 104850349
5-amino-N-(2H-tetrazol-5-ylmethyl)quinoline-8-sulfonamide
CID 104850425
5-amino-N-(4-hydroxypentan-2-yl)quinoline-8-sulfonamide
CID 104850522
5-amino-N-(2-hydroxy-2-methylpropyl)-N-methylquinoline-8-sulfonamide
CID 104850488
5-amino-N-ethyl-N-(2-hydroxyethyl)quinoline-8-sulfonamide
CID 104850383
5-amino-N-butyl-N-ethylquinoline-8-sulfonamide
CID 104850310
8-methyl-N-[3-[(8-methylquinolin-5-yl)sulfonylamino]propyl]quinoline-5-sulfonamide
CID 55559982
2-amino-N-[2-(dimethylamino)ethyl]-5-fluorobenzenesulfonamide
CID 54888461

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-(dimethylamino)ethyl]quinoline-8-sulfonamide?
The IUPAC name of 5-amino-N-[2-(dimethylamino)ethyl]quinoline-8-sulfonamide (CID 104850286) is 5-amino-N-[2-(dimethylamino)ethyl]quinoline-8-sulfonamide.
What is the SMILES notation for 5-amino-N-[2-(dimethylamino)ethyl]quinoline-8-sulfonamide?
The canonical SMILES for 5-amino-N-[2-(dimethylamino)ethyl]quinoline-8-sulfonamide is CN(C)CCNS(=O)(=O)c1ccc(N)c2cccnc12.
What is the InChIKey of 5-amino-N-[2-(dimethylamino)ethyl]quinoline-8-sulfonamide?
The InChIKey is IXGGORWUFMFXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-17(2)9-8-16-20(18,19)12-6-5-11(14)10-4-3-7-15-13(10)12/h3-7,16H,8-9,14H2,1-2H3.
What are the key properties of 5-amino-N-[2-(dimethylamino)ethyl]quinoline-8-sulfonamide?
5-amino-N-[2-(dimethylamino)ethyl]quinoline-8-sulfonamide has a molecular weight of 294.38 g/mol, XLogP of 0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-(dimethylamino)ethyl]quinoline-8-sulfonamide is sourced from PubChem (CID 104850286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).