N-methyl-1-quinolin-5-yl-2-(thian-4-yl)ethanamine

C17H22N2S — CID 105171945

IUPACN-methyl-1-quinolin-5-yl-2-(thian-4-yl)ethanamine
SMILESCNC(CC1CCSCC1)c1cccc2ncccc12
InChIInChI=1S/C17H22N2S/c1-18-17(12-13-7-10-20-11-8-13)15-4-2-6-16-14(15)5-3-9-19-16/h2-6,9,13,17-18H,7-8,10-12H2,1H3
InChIKeyRZDVGHOJTJQBAN-UHFFFAOYSA-N
MW286.44 g/mol
LogP4.03
Rot. Bonds4

About N-methyl-1-quinolin-5-yl-2-(thian-4-yl)ethanamine

N-methyl-1-quinolin-5-yl-2-(thian-4-yl)ethanamine (PubChem CID 105171945) has the molecular formula C17H22N2S and a molecular weight of 286.44 g/mol. Its IUPAC name is N-methyl-1-quinolin-5-yl-2-(thian-4-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-1-quinolin-5-yl-2-(thian-4-yl)ethanamine
PubChem CID105171945
Molecular FormulaC17H22N2S
Molecular Weight286.44 g/mol
Exact Mass286.15
IUPAC NameN-methyl-1-quinolin-5-yl-2-(thian-4-yl)ethanamine
SMILESCNC(CC1CCSCC1)c1cccc2ncccc12
InChIInChI=1S/C17H22N2S/c1-18-17(12-13-7-10-20-11-8-13)15-4-2-6-16-14(15)5-3-9-19-16/h2-6,9,13,17-18H,7-8,10-12H2,1H3
InChIKeyRZDVGHOJTJQBAN-UHFFFAOYSA-N
XLogP4.03
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-1-quinolin-5-ylethanamine
CID 79015948
N-methyl-1-quinolin-5-ylpent-4-yn-1-amine
CID 105149256
2-ethylsulfanyl-N-methyl-1-quinolin-5-ylethanamine
CID 81232043
[quinolin-5-yl(thiolan-3-yl)methyl]hydrazine
CID 105327009
N-methyl-1-quinolin-5-ylhex-5-en-1-amine
CID 105153263
[1-quinolin-8-yl-2-(thian-4-yl)ethyl]hydrazine
CID 105327477
N-methyl-1-phenyl-2-(thian-4-yl)ethanamine
CID 105083854
2-(4-chlorophenyl)-N-methyl-1-quinolin-5-ylethanamine
CID 81210403
2-(4-fluorophenyl)-N-methyl-1-quinolin-5-ylethanamine
CID 81209499
N-methyl-2-(2-methylphenyl)-1-quinolin-5-ylethanamine
CID 81227621
N-methyl-1-quinolin-3-yl-2-(thian-4-yl)ethanamine
CID 105097613
N-methyl-1-(2-methylthiophen-3-yl)-2-(thian-4-yl)ethanamine
CID 102840644

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-quinolin-5-yl-2-(thian-4-yl)ethanamine?
The IUPAC name of N-methyl-1-quinolin-5-yl-2-(thian-4-yl)ethanamine (CID 105171945) is N-methyl-1-quinolin-5-yl-2-(thian-4-yl)ethanamine.
What is the SMILES notation for N-methyl-1-quinolin-5-yl-2-(thian-4-yl)ethanamine?
The canonical SMILES for N-methyl-1-quinolin-5-yl-2-(thian-4-yl)ethanamine is CNC(CC1CCSCC1)c1cccc2ncccc12.
What is the InChIKey of N-methyl-1-quinolin-5-yl-2-(thian-4-yl)ethanamine?
The InChIKey is RZDVGHOJTJQBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2S/c1-18-17(12-13-7-10-20-11-8-13)15-4-2-6-16-14(15)5-3-9-19-16/h2-6,9,13,17-18H,7-8,10-12H2,1H3.
What are the key properties of N-methyl-1-quinolin-5-yl-2-(thian-4-yl)ethanamine?
N-methyl-1-quinolin-5-yl-2-(thian-4-yl)ethanamine has a molecular weight of 286.44 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-quinolin-5-yl-2-(thian-4-yl)ethanamine is sourced from PubChem (CID 105171945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).