N-methyl-1-(2-phenylsulfanylquinolin-3-yl)methanamine

C17H16N2S — CID 63807134

IUPACN-methyl-1-(2-phenylsulfanylquinolin-3-yl)methanamine
SMILESCNCc1cc2ccccc2nc1Sc1ccccc1
InChIInChI=1S/C17H16N2S/c1-18-12-14-11-13-7-5-6-10-16(13)19-17(14)20-15-8-3-2-4-9-15/h2-11,18H,12H2,1H3
InChIKeyHVMZECUVUCIOOQ-UHFFFAOYSA-N
MW280.40 g/mol
LogP4.11
Rot. Bonds4

About N-methyl-1-(2-phenylsulfanylquinolin-3-yl)methanamine

N-methyl-1-(2-phenylsulfanylquinolin-3-yl)methanamine (PubChem CID 63807134) has the molecular formula C17H16N2S and a molecular weight of 280.40 g/mol. Its IUPAC name is N-methyl-1-(2-phenylsulfanylquinolin-3-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(2-phenylsulfanylquinolin-3-yl)methanamine
PubChem CID63807134
Molecular FormulaC17H16N2S
Molecular Weight280.40 g/mol
Exact Mass280.10
IUPAC NameN-methyl-1-(2-phenylsulfanylquinolin-3-yl)methanamine
SMILESCNCc1cc2ccccc2nc1Sc1ccccc1
InChIInChI=1S/C17H16N2S/c1-18-12-14-11-13-7-5-6-10-16(13)19-17(14)20-15-8-3-2-4-9-15/h2-11,18H,12H2,1H3
InChIKeyHVMZECUVUCIOOQ-UHFFFAOYSA-N
XLogP4.11
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(2-pyridin-2-ylsulfanylquinolin-3-yl)methanamine
CID 63805461
1-[2-(2-bromophenyl)sulfanylquinolin-3-yl]-N-methylmethanamine
CID 63807648
N-methyl-1-[2-(2-methylfuran-3-yl)sulfanylquinolin-3-yl]methanamine
CID 107783184
N-methyl-1-[2-(2-methylsulfonylethylsulfanyl)quinolin-3-yl]methanamine
CID 63804478
1-[2-(azocan-1-yl)quinolin-3-yl]-N-methylmethanamine
CID 43281388
N-methyl-1-(2-piperidin-1-ylquinolin-3-yl)methanamine
CID 43281139
2-phenylsulfanylquinoline-3-carbaldehyde
CID 55238193
1-(4-bromo-2-phenylsulfanylphenyl)-N-methylmethanamine
CID 63805212
1-(4-chloro-2-phenylsulfanylphenyl)-N-methylmethanamine
CID 114863888
N-[[2-(3-methylbutan-2-ylsulfanyl)quinolin-3-yl]methyl]propan-1-amine
CID 107761589
N-[[2-(2-methylpropylsulfanyl)quinolin-3-yl]methyl]propan-1-amine
CID 63808487
1-(2-chloro-4-phenylsulfanylphenyl)-N-methylmethanamine
CID 114064942

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-phenylsulfanylquinolin-3-yl)methanamine?
The IUPAC name of N-methyl-1-(2-phenylsulfanylquinolin-3-yl)methanamine (CID 63807134) is N-methyl-1-(2-phenylsulfanylquinolin-3-yl)methanamine.
What is the SMILES notation for N-methyl-1-(2-phenylsulfanylquinolin-3-yl)methanamine?
The canonical SMILES for N-methyl-1-(2-phenylsulfanylquinolin-3-yl)methanamine is CNCc1cc2ccccc2nc1Sc1ccccc1.
What is the InChIKey of N-methyl-1-(2-phenylsulfanylquinolin-3-yl)methanamine?
The InChIKey is HVMZECUVUCIOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2S/c1-18-12-14-11-13-7-5-6-10-16(13)19-17(14)20-15-8-3-2-4-9-15/h2-11,18H,12H2,1H3.
What are the key properties of N-methyl-1-(2-phenylsulfanylquinolin-3-yl)methanamine?
N-methyl-1-(2-phenylsulfanylquinolin-3-yl)methanamine has a molecular weight of 280.40 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-phenylsulfanylquinolin-3-yl)methanamine is sourced from PubChem (CID 63807134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).