2-[(8-aminoquinolin-4-yl)amino]ethanesulfonamide

C11H14N4O2S — CID 83061174

IUPAC2-[(8-aminoquinolin-4-yl)amino]ethanesulfonamide
SMILESNc1cccc2c(NCCS(N)(=O)=O)ccnc12
InChIInChI=1S/C11H14N4O2S/c12-9-3-1-2-8-10(4-5-15-11(8)9)14-6-7-18(13,16)17/h1-5H,6-7,12H2,(H,14,15)(H2,13,16,17)
InChIKeyKCNVAUFBDLUTCK-UHFFFAOYSA-N
MW266.33 g/mol
LogP0.52
Rot. Bonds4

About 2-[(8-aminoquinolin-4-yl)amino]ethanesulfonamide

2-[(8-aminoquinolin-4-yl)amino]ethanesulfonamide (PubChem CID 83061174) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is 2-[(8-aminoquinolin-4-yl)amino]ethanesulfonamide.

Molecular Properties

Compound Name2-[(8-aminoquinolin-4-yl)amino]ethanesulfonamide
PubChem CID83061174
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC Name2-[(8-aminoquinolin-4-yl)amino]ethanesulfonamide
SMILESNc1cccc2c(NCCS(N)(=O)=O)ccnc12
InChIInChI=1S/C11H14N4O2S/c12-9-3-1-2-8-10(4-5-15-11(8)9)14-6-7-18(13,16)17/h1-5H,6-7,12H2,(H,14,15)(H2,13,16,17)
InChIKeyKCNVAUFBDLUTCK-UHFFFAOYSA-N
XLogP0.52
TPSA111.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[(8-aminoquinolin-4-yl)amino]butan-1-ol
CID 106840285
2-(naphthalen-1-ylamino)ethanesulfonamide
CID 114384703
4-N-[2-(diethylamino)ethyl]quinoline-4,8-diamine
CID 83057902
2-[(5-chloroquinolin-8-yl)amino]ethanesulfonamide
CID 114384833
4-N-(2-methylbutan-2-yl)quinoline-4,8-diamine
CID 83058211
4-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]quinoline-4,8-diamine
CID 83060979
4-N-(2,3,3-trimethylbutyl)quinoline-4,8-diamine
CID 83143113
4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]quinoline-4,8-diamine
CID 83060905
3-[[(8-aminoquinolin-4-yl)amino]methyl]pentan-3-ol
CID 83060238
4-N-[2-(1-methylpyrazol-3-yl)ethyl]quinoline-4,8-diamine
CID 106104004
4-N-[2-(2-methylpyrazol-3-yl)ethyl]quinoline-4,8-diamine
CID 103004438
4-N-[(5-bromo-2-fluorophenyl)methyl]quinoline-4,8-diamine
CID 83065691

Frequently Asked Questions

What is the IUPAC name of 2-[(8-aminoquinolin-4-yl)amino]ethanesulfonamide?
The IUPAC name of 2-[(8-aminoquinolin-4-yl)amino]ethanesulfonamide (CID 83061174) is 2-[(8-aminoquinolin-4-yl)amino]ethanesulfonamide.
What is the SMILES notation for 2-[(8-aminoquinolin-4-yl)amino]ethanesulfonamide?
The canonical SMILES for 2-[(8-aminoquinolin-4-yl)amino]ethanesulfonamide is Nc1cccc2c(NCCS(N)(=O)=O)ccnc12.
What is the InChIKey of 2-[(8-aminoquinolin-4-yl)amino]ethanesulfonamide?
The InChIKey is KCNVAUFBDLUTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c12-9-3-1-2-8-10(4-5-15-11(8)9)14-6-7-18(13,16)17/h1-5H,6-7,12H2,(H,14,15)(H2,13,16,17).
What are the key properties of 2-[(8-aminoquinolin-4-yl)amino]ethanesulfonamide?
2-[(8-aminoquinolin-4-yl)amino]ethanesulfonamide has a molecular weight of 266.33 g/mol, XLogP of 0.52, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(8-aminoquinolin-4-yl)amino]ethanesulfonamide is sourced from PubChem (CID 83061174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).