2-[(8-methoxyquinolin-2-yl)methylamino]ethanesulfonamide

C13H17N3O3S — CID 80702043

IUPAC2-[(8-methoxyquinolin-2-yl)methylamino]ethanesulfonamide
SMILESCOc1cccc2ccc(CNCCS(N)(=O)=O)nc12
InChIInChI=1S/C13H17N3O3S/c1-19-12-4-2-3-10-5-6-11(16-13(10)12)9-15-7-8-20(14,17)18/h2-6,15H,7-9H2,1H3,(H2,14,17,18)
InChIKeyPHDHCCIHUKKGQR-UHFFFAOYSA-N
MW295.36 g/mol
LogP0.62
Rot. Bonds6

About 2-[(8-methoxyquinolin-2-yl)methylamino]ethanesulfonamide

2-[(8-methoxyquinolin-2-yl)methylamino]ethanesulfonamide (PubChem CID 80702043) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 2-[(8-methoxyquinolin-2-yl)methylamino]ethanesulfonamide.

Molecular Properties

Compound Name2-[(8-methoxyquinolin-2-yl)methylamino]ethanesulfonamide
PubChem CID80702043
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name2-[(8-methoxyquinolin-2-yl)methylamino]ethanesulfonamide
SMILESCOc1cccc2ccc(CNCCS(N)(=O)=O)nc12
InChIInChI=1S/C13H17N3O3S/c1-19-12-4-2-3-10-5-6-11(16-13(10)12)9-15-7-8-20(14,17)18/h2-6,15H,7-9H2,1H3,(H2,14,17,18)
InChIKeyPHDHCCIHUKKGQR-UHFFFAOYSA-N
XLogP0.62
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(8-methoxyquinolin-2-yl)methylamino]ethoxy]acetamide
CID 106236592
5-[(8-methoxyquinolin-2-yl)methylamino]pentan-1-ol
CID 107316801
N-[(8-methoxyquinolin-2-yl)methyl]-3-propan-2-yloxypropan-1-amine
CID 80701789
2-methoxy-N-[(8-methoxyquinolin-2-yl)methyl]-2-methylpropan-1-amine
CID 104759612
N-[(8-methoxyquinolin-2-yl)methyl]-2-methylbutan-1-amine
CID 80703435
N-[(8-methoxyquinolin-2-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine
CID 106395260
2-[(6-bromo-2-pyridinyl)methylamino]ethanesulfonamide
CID 112581934
2-[(8-methoxyquinolin-2-yl)methylamino]oxyacetamide
CID 112673314
2,2-difluoro-3-[(8-methoxyquinolin-2-yl)methylamino]propan-1-ol
CID 106173051
N-[(8-methoxyquinolin-2-yl)methyl]-3-methylpentan-3-amine
CID 106328471
N-[2-(8-methoxyquinolin-2-yl)ethyl]propan-1-amine
CID 80703316
1-(8-methoxyquinolin-2-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 80702048

Frequently Asked Questions

What is the IUPAC name of 2-[(8-methoxyquinolin-2-yl)methylamino]ethanesulfonamide?
The IUPAC name of 2-[(8-methoxyquinolin-2-yl)methylamino]ethanesulfonamide (CID 80702043) is 2-[(8-methoxyquinolin-2-yl)methylamino]ethanesulfonamide.
What is the SMILES notation for 2-[(8-methoxyquinolin-2-yl)methylamino]ethanesulfonamide?
The canonical SMILES for 2-[(8-methoxyquinolin-2-yl)methylamino]ethanesulfonamide is COc1cccc2ccc(CNCCS(N)(=O)=O)nc12.
What is the InChIKey of 2-[(8-methoxyquinolin-2-yl)methylamino]ethanesulfonamide?
The InChIKey is PHDHCCIHUKKGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-19-12-4-2-3-10-5-6-11(16-13(10)12)9-15-7-8-20(14,17)18/h2-6,15H,7-9H2,1H3,(H2,14,17,18).
What are the key properties of 2-[(8-methoxyquinolin-2-yl)methylamino]ethanesulfonamide?
2-[(8-methoxyquinolin-2-yl)methylamino]ethanesulfonamide has a molecular weight of 295.36 g/mol, XLogP of 0.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(8-methoxyquinolin-2-yl)methylamino]ethanesulfonamide is sourced from PubChem (CID 80702043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).