2-methyl-N-(3-methylsulfonylpropyl)quinolin-4-amine

C14H18N2O2S — CID 54904913

IUPAC2-methyl-N-(3-methylsulfonylpropyl)quinolin-4-amine
SMILESCc1cc(NCCCS(C)(=O)=O)c2ccccc2n1
InChIInChI=1S/C14H18N2O2S/c1-11-10-14(15-8-5-9-19(2,17)18)12-6-3-4-7-13(12)16-11/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,15,16)
InChIKeyXSXCKEOORLBHIE-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.39
Rot. Bonds5

About 2-methyl-N-(3-methylsulfonylpropyl)quinolin-4-amine

2-methyl-N-(3-methylsulfonylpropyl)quinolin-4-amine (PubChem CID 54904913) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 2-methyl-N-(3-methylsulfonylpropyl)quinolin-4-amine.

Molecular Properties

Compound Name2-methyl-N-(3-methylsulfonylpropyl)quinolin-4-amine
PubChem CID54904913
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name2-methyl-N-(3-methylsulfonylpropyl)quinolin-4-amine
SMILESCc1cc(NCCCS(C)(=O)=O)c2ccccc2n1
InChIInChI=1S/C14H18N2O2S/c1-11-10-14(15-8-5-9-19(2,17)18)12-6-3-4-7-13(12)16-11/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,15,16)
InChIKeyXSXCKEOORLBHIE-UHFFFAOYSA-N
XLogP2.39
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-(2-methylsulfonylethyl)quinolin-4-amine
CID 54934838
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-[3-[(2-methylquinolin-4-yl)amino]propyl]ethanesulfonamide
CID 49431740
2-[(2-methylquinolin-4-yl)amino]ethanesulfonamide
CID 43552334
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
methyl 6-[(2-methylquinolin-4-yl)amino]hexanoate
CID 60716333
N-methyl-1-(2-methylquinolin-4-yl)-4-methylsulfonylbutan-1-amine
CID 105112992
N-[(2-methylquinolin-4-yl)methyl]-2-methylsulfonylethanamine
CID 78943321
N'-(2-methylquinolin-4-yl)ethane-1,2-diamine;dihydrochloride
CID 46735889

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-methylsulfonylpropyl)quinolin-4-amine?
The IUPAC name of 2-methyl-N-(3-methylsulfonylpropyl)quinolin-4-amine (CID 54904913) is 2-methyl-N-(3-methylsulfonylpropyl)quinolin-4-amine.
What is the SMILES notation for 2-methyl-N-(3-methylsulfonylpropyl)quinolin-4-amine?
The canonical SMILES for 2-methyl-N-(3-methylsulfonylpropyl)quinolin-4-amine is Cc1cc(NCCCS(C)(=O)=O)c2ccccc2n1.
What is the InChIKey of 2-methyl-N-(3-methylsulfonylpropyl)quinolin-4-amine?
The InChIKey is XSXCKEOORLBHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-11-10-14(15-8-5-9-19(2,17)18)12-6-3-4-7-13(12)16-11/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,15,16).
What are the key properties of 2-methyl-N-(3-methylsulfonylpropyl)quinolin-4-amine?
2-methyl-N-(3-methylsulfonylpropyl)quinolin-4-amine has a molecular weight of 278.38 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-methylsulfonylpropyl)quinolin-4-amine is sourced from PubChem (CID 54904913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).