quinolin-3-yl(thiolan-2-yl)methanamine

C14H16N2S — CID 80622472

IUPACquinolin-3-yl(thiolan-2-yl)methanamine
SMILESNC(c1cnc2ccccc2c1)C1CCCS1
InChIInChI=1S/C14H16N2S/c15-14(13-6-3-7-17-13)11-8-10-4-1-2-5-12(10)16-9-11/h1-2,4-5,8-9,13-14H,3,6-7,15H2
InChIKeyIJWGWPXWPPKNAJ-UHFFFAOYSA-N
MW244.36 g/mol
LogP3.13
Rot. Bonds2

About quinolin-3-yl(thiolan-2-yl)methanamine

quinolin-3-yl(thiolan-2-yl)methanamine (PubChem CID 80622472) has the molecular formula C14H16N2S and a molecular weight of 244.36 g/mol. Its IUPAC name is quinolin-3-yl(thiolan-2-yl)methanamine.

Molecular Properties

Compound Namequinolin-3-yl(thiolan-2-yl)methanamine
PubChem CID80622472
Molecular FormulaC14H16N2S
Molecular Weight244.36 g/mol
Exact Mass244.10
IUPAC Namequinolin-3-yl(thiolan-2-yl)methanamine
SMILESNC(c1cnc2ccccc2c1)C1CCCS1
InChIInChI=1S/C14H16N2S/c15-14(13-6-3-7-17-13)11-8-10-4-1-2-5-12(10)16-9-11/h1-2,4-5,8-9,13-14H,3,6-7,15H2
InChIKeyIJWGWPXWPPKNAJ-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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Frequently Asked Questions

What is the IUPAC name of quinolin-3-yl(thiolan-2-yl)methanamine?
The IUPAC name of quinolin-3-yl(thiolan-2-yl)methanamine (CID 80622472) is quinolin-3-yl(thiolan-2-yl)methanamine.
What is the SMILES notation for quinolin-3-yl(thiolan-2-yl)methanamine?
The canonical SMILES for quinolin-3-yl(thiolan-2-yl)methanamine is NC(c1cnc2ccccc2c1)C1CCCS1.
What is the InChIKey of quinolin-3-yl(thiolan-2-yl)methanamine?
The InChIKey is IJWGWPXWPPKNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2S/c15-14(13-6-3-7-17-13)11-8-10-4-1-2-5-12(10)16-9-11/h1-2,4-5,8-9,13-14H,3,6-7,15H2.
What are the key properties of quinolin-3-yl(thiolan-2-yl)methanamine?
quinolin-3-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-3-yl(thiolan-2-yl)methanamine is sourced from PubChem (CID 80622472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).