2-[(2-methylquinolin-4-yl)amino]ethanesulfonamide

C12H15N3O2S — CID 43552334

IUPAC2-[(2-methylquinolin-4-yl)amino]ethanesulfonamide
SMILESCc1cc(NCCS(N)(=O)=O)c2ccccc2n1
InChIInChI=1S/C12H15N3O2S/c1-9-8-12(14-6-7-18(13,16)17)10-4-2-3-5-11(10)15-9/h2-5,8H,6-7H2,1H3,(H,14,15)(H2,13,16,17)
InChIKeyMZLDIOSSUPGKHF-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.24
Rot. Bonds4

About 2-[(2-methylquinolin-4-yl)amino]ethanesulfonamide

2-[(2-methylquinolin-4-yl)amino]ethanesulfonamide (PubChem CID 43552334) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is 2-[(2-methylquinolin-4-yl)amino]ethanesulfonamide.

Molecular Properties

Compound Name2-[(2-methylquinolin-4-yl)amino]ethanesulfonamide
PubChem CID43552334
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Name2-[(2-methylquinolin-4-yl)amino]ethanesulfonamide
SMILESCc1cc(NCCS(N)(=O)=O)c2ccccc2n1
InChIInChI=1S/C12H15N3O2S/c1-9-8-12(14-6-7-18(13,16)17)10-4-2-3-5-11(10)15-9/h2-5,8H,6-7H2,1H3,(H,14,15)(H2,13,16,17)
InChIKeyMZLDIOSSUPGKHF-UHFFFAOYSA-N
XLogP1.24
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-(2-methylsulfonylethyl)quinolin-4-amine
CID 54934838
2-methyl-N-(3-methylsulfonylpropyl)quinolin-4-amine
CID 54904913
N'-(2-methylquinolin-4-yl)ethane-1,2-diamine;dihydrochloride
CID 46735889
N-[3-[(2-methylquinolin-4-yl)amino]propyl]ethanesulfonamide
CID 49431740
2-methyl-N-[2-(2-methylsulfonylethoxy)ethyl]quinolin-4-amine
CID 71996177
bis(N,N'-bis(2-methylquinolin-4-yl)decane-1,10-diamine);bis(N,N'-bis(2-methylquinolin-4-yl)dodecane-1,12-diamine);hydrate
CID 158378182
N-(2-methylquinolin-4-yl)-N'-propan-2-ylethane-1,2-diamine
CID 62664297
4-[(2-methylquinolin-4-yl)amino]butanoic acid
CID 43419953
N-(4-chlorobutyl)-2-methylquinolin-4-amine
CID 106845127
2-methyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]quinolin-4-amine
CID 75430530
2-methyl-N-(2-phenylsulfanylethyl)quinolin-4-amine
CID 63535075
2-[2-[(2-methylquinolin-4-yl)amino]ethoxy]acetamide
CID 106239415

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylquinolin-4-yl)amino]ethanesulfonamide?
The IUPAC name of 2-[(2-methylquinolin-4-yl)amino]ethanesulfonamide (CID 43552334) is 2-[(2-methylquinolin-4-yl)amino]ethanesulfonamide.
What is the SMILES notation for 2-[(2-methylquinolin-4-yl)amino]ethanesulfonamide?
The canonical SMILES for 2-[(2-methylquinolin-4-yl)amino]ethanesulfonamide is Cc1cc(NCCS(N)(=O)=O)c2ccccc2n1.
What is the InChIKey of 2-[(2-methylquinolin-4-yl)amino]ethanesulfonamide?
The InChIKey is MZLDIOSSUPGKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-9-8-12(14-6-7-18(13,16)17)10-4-2-3-5-11(10)15-9/h2-5,8H,6-7H2,1H3,(H,14,15)(H2,13,16,17).
What are the key properties of 2-[(2-methylquinolin-4-yl)amino]ethanesulfonamide?
2-[(2-methylquinolin-4-yl)amino]ethanesulfonamide has a molecular weight of 265.34 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylquinolin-4-yl)amino]ethanesulfonamide is sourced from PubChem (CID 43552334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).