quinolin-5-yl(thiolan-2-yl)methanamine

C14H16N2S — CID 81224263

IUPACquinolin-5-yl(thiolan-2-yl)methanamine
SMILESNC(c1cccc2ncccc12)C1CCCS1
InChIInChI=1S/C14H16N2S/c15-14(13-7-3-9-17-13)11-4-1-6-12-10(11)5-2-8-16-12/h1-2,4-6,8,13-14H,3,7,9,15H2
InChIKeyMJNXVASODBKGPI-UHFFFAOYSA-N
MW244.36 g/mol
LogP3.13
Rot. Bonds2

About quinolin-5-yl(thiolan-2-yl)methanamine

quinolin-5-yl(thiolan-2-yl)methanamine (PubChem CID 81224263) has the molecular formula C14H16N2S and a molecular weight of 244.36 g/mol. Its IUPAC name is quinolin-5-yl(thiolan-2-yl)methanamine.

Molecular Properties

Compound Namequinolin-5-yl(thiolan-2-yl)methanamine
PubChem CID81224263
Molecular FormulaC14H16N2S
Molecular Weight244.36 g/mol
Exact Mass244.10
IUPAC Namequinolin-5-yl(thiolan-2-yl)methanamine
SMILESNC(c1cccc2ncccc12)C1CCCS1
InChIInChI=1S/C14H16N2S/c15-14(13-7-3-9-17-13)11-4-1-6-12-10(11)5-2-8-16-12/h1-2,4-6,8,13-14H,3,7,9,15H2
InChIKeyMJNXVASODBKGPI-UHFFFAOYSA-N
XLogP3.13
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-1-quinolin-5-ylethanamine
CID 79015948
(2,3-dichlorophenyl)-(thiolan-2-yl)methanamine
CID 80623174
3-cyclopentyl-1-quinolin-5-ylpropan-1-amine
CID 105020216
(1R)-1-quinolin-5-ylethanamine
CID 55277010
6-bicyclo[3.1.0]hexanyl(quinolin-5-yl)methanol
CID 115826271
(3-bromo-2-fluorophenyl)-(thiolan-2-yl)methanamine
CID 106645947
7-oxabicyclo[2.2.1]heptan-2-yl(quinolin-5-yl)methanamine
CID 81231468
1-quinolin-5-ylethane-1,2-diamine
CID 55275195
(1R)-1-quinolin-5-ylethane-1,2-diamine
CID 66516625
(2R)-2-amino-2-quinolin-5-ylacetic acid
CID 39733719
[quinolin-5-yl(thiolan-3-yl)methyl]hydrazine
CID 105327009
3-[2-amino-2-(thiolan-2-yl)ethyl]pyridin-2-amine
CID 80621765

Frequently Asked Questions

What is the IUPAC name of quinolin-5-yl(thiolan-2-yl)methanamine?
The IUPAC name of quinolin-5-yl(thiolan-2-yl)methanamine (CID 81224263) is quinolin-5-yl(thiolan-2-yl)methanamine.
What is the SMILES notation for quinolin-5-yl(thiolan-2-yl)methanamine?
The canonical SMILES for quinolin-5-yl(thiolan-2-yl)methanamine is NC(c1cccc2ncccc12)C1CCCS1.
What is the InChIKey of quinolin-5-yl(thiolan-2-yl)methanamine?
The InChIKey is MJNXVASODBKGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2S/c15-14(13-7-3-9-17-13)11-4-1-6-12-10(11)5-2-8-16-12/h1-2,4-6,8,13-14H,3,7,9,15H2.
What are the key properties of quinolin-5-yl(thiolan-2-yl)methanamine?
quinolin-5-yl(thiolan-2-yl)methanamine has a molecular weight of 244.36 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for quinolin-5-yl(thiolan-2-yl)methanamine is sourced from PubChem (CID 81224263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).