N-methyl-1-quinolin-3-yl-2-(thian-4-yl)ethanamine

C17H22N2S — CID 105097613

IUPACN-methyl-1-quinolin-3-yl-2-(thian-4-yl)ethanamine
SMILESCNC(CC1CCSCC1)c1cnc2ccccc2c1
InChIInChI=1S/C17H22N2S/c1-18-17(10-13-6-8-20-9-7-13)15-11-14-4-2-3-5-16(14)19-12-15/h2-5,11-13,17-18H,6-10H2,1H3
InChIKeyOACRSBUQEMVMDQ-UHFFFAOYSA-N
MW286.44 g/mol
LogP4.03
Rot. Bonds4

About N-methyl-1-quinolin-3-yl-2-(thian-4-yl)ethanamine

N-methyl-1-quinolin-3-yl-2-(thian-4-yl)ethanamine (PubChem CID 105097613) has the molecular formula C17H22N2S and a molecular weight of 286.44 g/mol. Its IUPAC name is N-methyl-1-quinolin-3-yl-2-(thian-4-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-1-quinolin-3-yl-2-(thian-4-yl)ethanamine
PubChem CID105097613
Molecular FormulaC17H22N2S
Molecular Weight286.44 g/mol
Exact Mass286.15
IUPAC NameN-methyl-1-quinolin-3-yl-2-(thian-4-yl)ethanamine
SMILESCNC(CC1CCSCC1)c1cnc2ccccc2c1
InChIInChI=1S/C17H22N2S/c1-18-17(10-13-6-8-20-9-7-13)15-11-14-4-2-3-5-16(14)19-12-15/h2-5,11-13,17-18H,6-10H2,1H3
InChIKeyOACRSBUQEMVMDQ-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

N-methyl-1-phenyl-2-(thian-4-yl)ethanamine
CID 105083854
(2-cyclobutyl-1-quinolin-3-ylethyl)hydrazine
CID 103170394
4-ethoxy-N-methyl-1-quinolin-3-ylbutan-1-amine
CID 105097537
N-methyl-1-(4-methylphenyl)-2-(thian-4-yl)ethanamine
CID 105092320
N-methyl-3-(oxolan-2-yl)-1-quinolin-3-ylpropan-1-amine
CID 115797860
[quinolin-3-yl(thiolan-3-yl)methyl]hydrazine
CID 105286981
N-methyl-1-quinolin-5-yl-2-(thian-4-yl)ethanamine
CID 105171945
[2-(1,1-dioxothiolan-3-yl)-1-quinolin-3-ylethyl]hydrazine
CID 105286909
N-methyl-2-(thian-4-yl)-1-thiophen-3-ylethanamine
CID 105153997
2-cyclopropyl-N-ethyl-2-methoxy-1-quinolin-3-ylethanamine
CID 116722411
1-(3,4-dimethoxyphenyl)-N-methyl-2-(thian-4-yl)ethanamine
CID 105141218
1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-1-quinolin-3-ylmethanamine
CID 115797702

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-quinolin-3-yl-2-(thian-4-yl)ethanamine?
The IUPAC name of N-methyl-1-quinolin-3-yl-2-(thian-4-yl)ethanamine (CID 105097613) is N-methyl-1-quinolin-3-yl-2-(thian-4-yl)ethanamine.
What is the SMILES notation for N-methyl-1-quinolin-3-yl-2-(thian-4-yl)ethanamine?
The canonical SMILES for N-methyl-1-quinolin-3-yl-2-(thian-4-yl)ethanamine is CNC(CC1CCSCC1)c1cnc2ccccc2c1.
What is the InChIKey of N-methyl-1-quinolin-3-yl-2-(thian-4-yl)ethanamine?
The InChIKey is OACRSBUQEMVMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2S/c1-18-17(10-13-6-8-20-9-7-13)15-11-14-4-2-3-5-16(14)19-12-15/h2-5,11-13,17-18H,6-10H2,1H3.
What are the key properties of N-methyl-1-quinolin-3-yl-2-(thian-4-yl)ethanamine?
N-methyl-1-quinolin-3-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-3-yl-2-(thian-4-yl)ethanamine is sourced from PubChem (CID 105097613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).