N-methyl-1-[2-(2-methylsulfonylethylsulfanyl)quinolin-3-yl]methanamine

C14H18N2O2S2 — CID 63804478

IUPACN-methyl-1-[2-(2-methylsulfonylethylsulfanyl)quinolin-3-yl]methanamine
SMILESCNCc1cc2ccccc2nc1SCCS(C)(=O)=O
InChIInChI=1S/C14H18N2O2S2/c1-15-10-12-9-11-5-3-4-6-13(11)16-14(12)19-7-8-20(2,17)18/h3-6,9,15H,7-8,10H2,1-2H3
InChIKeyYDUOLFFFUQWNFA-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.09
Rot. Bonds6

About N-methyl-1-[2-(2-methylsulfonylethylsulfanyl)quinolin-3-yl]methanamine

N-methyl-1-[2-(2-methylsulfonylethylsulfanyl)quinolin-3-yl]methanamine (PubChem CID 63804478) has the molecular formula C14H18N2O2S2 and a molecular weight of 310.44 g/mol. Its IUPAC name is N-methyl-1-[2-(2-methylsulfonylethylsulfanyl)quinolin-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(2-methylsulfonylethylsulfanyl)quinolin-3-yl]methanamine
PubChem CID63804478
Molecular FormulaC14H18N2O2S2
Molecular Weight310.44 g/mol
Exact Mass310.08
IUPAC NameN-methyl-1-[2-(2-methylsulfonylethylsulfanyl)quinolin-3-yl]methanamine
SMILESCNCc1cc2ccccc2nc1SCCS(C)(=O)=O
InChIInChI=1S/C14H18N2O2S2/c1-15-10-12-9-11-5-3-4-6-13(11)16-14(12)19-7-8-20(2,17)18/h3-6,9,15H,7-8,10H2,1-2H3
InChIKeyYDUOLFFFUQWNFA-UHFFFAOYSA-N
XLogP2.09
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-(2-phenylsulfanylquinolin-3-yl)methanamine
CID 63807134
1-[2-(2-bromophenyl)sulfanylquinolin-3-yl]-N-methylmethanamine
CID 63807648
N-methyl-1-(2-pyridin-2-ylsulfanylquinolin-3-yl)methanamine
CID 63805461
N-[(2-pentylsulfanylquinolin-3-yl)methyl]propan-1-amine
CID 107761456
N-methyl-1-[2-(2-methylfuran-3-yl)sulfanylquinolin-3-yl]methanamine
CID 107783184
N,N-diethyl-2-(3-ethylquinolin-2-yl)sulfanylethanamine;hydrochloride
CID 171668935
2-[3-[(2-methoxyethylamino)methyl]quinolin-2-yl]sulfanylethanol
CID 63809105
N-[[2-(3-methoxypropylsulfanyl)quinolin-3-yl]methyl]ethanamine
CID 63857806
3-[3-[(2-methylpropylamino)methyl]quinolin-2-yl]sulfanylpropan-1-ol
CID 66128985
4-(2-methylsulfonylethylsulfanyl)quinazoline
CID 47096866
N-[[2-(2-methylpropylsulfanyl)quinolin-3-yl]methyl]propan-1-amine
CID 63808487
3-[3-(ethylaminomethyl)quinolin-2-yl]sulfanyl-2-methylpropan-1-ol
CID 66102998

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(2-methylsulfonylethylsulfanyl)quinolin-3-yl]methanamine?
The IUPAC name of N-methyl-1-[2-(2-methylsulfonylethylsulfanyl)quinolin-3-yl]methanamine (CID 63804478) is N-methyl-1-[2-(2-methylsulfonylethylsulfanyl)quinolin-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(2-methylsulfonylethylsulfanyl)quinolin-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[2-(2-methylsulfonylethylsulfanyl)quinolin-3-yl]methanamine is CNCc1cc2ccccc2nc1SCCS(C)(=O)=O.
What is the InChIKey of N-methyl-1-[2-(2-methylsulfonylethylsulfanyl)quinolin-3-yl]methanamine?
The InChIKey is YDUOLFFFUQWNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S2/c1-15-10-12-9-11-5-3-4-6-13(11)16-14(12)19-7-8-20(2,17)18/h3-6,9,15H,7-8,10H2,1-2H3.
What are the key properties of N-methyl-1-[2-(2-methylsulfonylethylsulfanyl)quinolin-3-yl]methanamine?
N-methyl-1-[2-(2-methylsulfonylethylsulfanyl)quinolin-3-yl]methanamine has a molecular weight of 310.44 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(2-methylsulfonylethylsulfanyl)quinolin-3-yl]methanamine is sourced from PubChem (CID 63804478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).