quinolin-7-yl(thiolan-3-yl)methanamine

C14H16N2S — CID 105172672

IUPACquinolin-7-yl(thiolan-3-yl)methanamine
SMILESNC(c1ccc2cccnc2c1)C1CCSC1
InChIInChI=1S/C14H16N2S/c15-14(12-5-7-17-9-12)11-4-3-10-2-1-6-16-13(10)8-11/h1-4,6,8,12,14H,5,7,9,15H2
InChIKeyMULBBFFWJWDDIR-UHFFFAOYSA-N
MW244.36 g/mol
LogP2.99
Rot. Bonds2

About quinolin-7-yl(thiolan-3-yl)methanamine

quinolin-7-yl(thiolan-3-yl)methanamine (PubChem CID 105172672) has the molecular formula C14H16N2S and a molecular weight of 244.36 g/mol. Its IUPAC name is quinolin-7-yl(thiolan-3-yl)methanamine.

Molecular Properties

Compound Namequinolin-7-yl(thiolan-3-yl)methanamine
PubChem CID105172672
Molecular FormulaC14H16N2S
Molecular Weight244.36 g/mol
Exact Mass244.10
IUPAC Namequinolin-7-yl(thiolan-3-yl)methanamine
SMILESNC(c1ccc2cccnc2c1)C1CCSC1
InChIInChI=1S/C14H16N2S/c15-14(12-5-7-17-9-12)11-4-3-10-2-1-6-16-13(10)8-11/h1-4,6,8,12,14H,5,7,9,15H2
InChIKeyMULBBFFWJWDDIR-UHFFFAOYSA-N
XLogP2.99
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 ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-quinolin-7-yl-1-(thiolan-3-yl)methanamine
CID 105172644
1-quinolin-7-yl-2-(thian-4-yl)ethanamine
CID 105172620
cyclopropyl(quinolin-6-yl)methanamine
CID 55273103
oxan-3-yl(quinolin-7-yl)methanamine
CID 81231409
cycloheptyl(quinolin-7-yl)methanol
CID 81216722
(3-methylcyclopentyl)-quinolin-7-ylmethanol
CID 81220222
pyrimidin-2-yl(quinolin-7-yl)methanamine
CID 81220998
2,2-dimethyl-1-quinolin-7-ylpropan-1-amine
CID 81220535
(1-methylcyclopropyl)-quinolin-7-ylmethanamine
CID 81231655
N-methyl-1-(1,4-oxathian-2-yl)-1-quinolin-7-ylmethanamine
CID 81231155
(2-cyclopentyl-1-quinolin-7-ylethyl)hydrazine
CID 105327558
oxolan-3-yl(quinolin-7-yl)methanol
CID 81215665

Frequently Asked Questions

What is the IUPAC name of quinolin-7-yl(thiolan-3-yl)methanamine?
The IUPAC name of quinolin-7-yl(thiolan-3-yl)methanamine (CID 105172672) is quinolin-7-yl(thiolan-3-yl)methanamine.
What is the SMILES notation for quinolin-7-yl(thiolan-3-yl)methanamine?
The canonical SMILES for quinolin-7-yl(thiolan-3-yl)methanamine is NC(c1ccc2cccnc2c1)C1CCSC1.
What is the InChIKey of quinolin-7-yl(thiolan-3-yl)methanamine?
The InChIKey is MULBBFFWJWDDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2S/c15-14(12-5-7-17-9-12)11-4-3-10-2-1-6-16-13(10)8-11/h1-4,6,8,12,14H,5,7,9,15H2.
What are the key properties of quinolin-7-yl(thiolan-3-yl)methanamine?
quinolin-7-yl(thiolan-3-yl)methanamine has a molecular weight of 244.36 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for quinolin-7-yl(thiolan-3-yl)methanamine is sourced from PubChem (CID 105172672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).