N-methyl-1-(2-pyridin-2-ylsulfanylquinolin-3-yl)methanamine

C16H15N3S — CID 63805461

IUPACN-methyl-1-(2-pyridin-2-ylsulfanylquinolin-3-yl)methanamine
SMILESCNCc1cc2ccccc2nc1Sc1ccccn1
InChIInChI=1S/C16H15N3S/c1-17-11-13-10-12-6-2-3-7-14(12)19-16(13)20-15-8-4-5-9-18-15/h2-10,17H,11H2,1H3
InChIKeyCXLSHPGTACXRDU-UHFFFAOYSA-N
MW281.38 g/mol
LogP3.50
Rot. Bonds4

About N-methyl-1-(2-pyridin-2-ylsulfanylquinolin-3-yl)methanamine

N-methyl-1-(2-pyridin-2-ylsulfanylquinolin-3-yl)methanamine (PubChem CID 63805461) has the molecular formula C16H15N3S and a molecular weight of 281.38 g/mol. Its IUPAC name is N-methyl-1-(2-pyridin-2-ylsulfanylquinolin-3-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(2-pyridin-2-ylsulfanylquinolin-3-yl)methanamine
PubChem CID63805461
Molecular FormulaC16H15N3S
Molecular Weight281.38 g/mol
Exact Mass281.10
IUPAC NameN-methyl-1-(2-pyridin-2-ylsulfanylquinolin-3-yl)methanamine
SMILESCNCc1cc2ccccc2nc1Sc1ccccn1
InChIInChI=1S/C16H15N3S/c1-17-11-13-10-12-6-2-3-7-14(12)19-16(13)20-15-8-4-5-9-18-15/h2-10,17H,11H2,1H3
InChIKeyCXLSHPGTACXRDU-UHFFFAOYSA-N
XLogP3.50
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(2-phenylsulfanylquinolin-3-yl)methanamine
CID 63807134
2-(2-pyridin-2-ylsulfanylquinolin-3-yl)ethanamine
CID 63818092
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
N-ethyl-3-(pyridin-2-ylsulfanylmethyl)quinolin-2-amine
CID 62189453
N-[[2-(1H-imidazol-2-ylsulfanyl)quinolin-3-yl]methyl]propan-1-amine
CID 107783164
N-ethyl-4-pyridin-2-ylsulfanylquinazolin-2-amine
CID 80883177
3-methyl-2-pyrimidin-2-ylsulfanylquinoline
CID 11837538
[2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]quinolin-3-yl]methanamine
CID 104603486

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-pyridin-2-ylsulfanylquinolin-3-yl)methanamine?
The IUPAC name of N-methyl-1-(2-pyridin-2-ylsulfanylquinolin-3-yl)methanamine (CID 63805461) is N-methyl-1-(2-pyridin-2-ylsulfanylquinolin-3-yl)methanamine.
What is the SMILES notation for N-methyl-1-(2-pyridin-2-ylsulfanylquinolin-3-yl)methanamine?
The canonical SMILES for N-methyl-1-(2-pyridin-2-ylsulfanylquinolin-3-yl)methanamine is CNCc1cc2ccccc2nc1Sc1ccccn1.
What is the InChIKey of N-methyl-1-(2-pyridin-2-ylsulfanylquinolin-3-yl)methanamine?
The InChIKey is CXLSHPGTACXRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3S/c1-17-11-13-10-12-6-2-3-7-14(12)19-16(13)20-15-8-4-5-9-18-15/h2-10,17H,11H2,1H3.
What are the key properties of N-methyl-1-(2-pyridin-2-ylsulfanylquinolin-3-yl)methanamine?
N-methyl-1-(2-pyridin-2-ylsulfanylquinolin-3-yl)methanamine has a molecular weight of 281.38 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-pyridin-2-ylsulfanylquinolin-3-yl)methanamine is sourced from PubChem (CID 63805461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).