5,6,7,8-tetrahydroquinolin-8-yl(thiolan-3-yl)methanamine

C14H20N2S — CID 105164783

IUPAC5,6,7,8-tetrahydroquinolin-8-yl(thiolan-3-yl)methanamine
SMILESNC(C1CCSC1)C1CCCc2cccnc21
InChIInChI=1S/C14H20N2S/c15-13(11-6-8-17-9-11)12-5-1-3-10-4-2-7-16-14(10)12/h2,4,7,11-13H,1,3,5-6,8-9,15H2
InChIKeyQQZULDRVYQKSIO-UHFFFAOYSA-N
MW248.39 g/mol
LogP2.58
Rot. Bonds2

About 5,6,7,8-tetrahydroquinolin-8-yl(thiolan-3-yl)methanamine

5,6,7,8-tetrahydroquinolin-8-yl(thiolan-3-yl)methanamine (PubChem CID 105164783) has the molecular formula C14H20N2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 5,6,7,8-tetrahydroquinolin-8-yl(thiolan-3-yl)methanamine.

Molecular Properties

Compound Name5,6,7,8-tetrahydroquinolin-8-yl(thiolan-3-yl)methanamine
PubChem CID105164783
Molecular FormulaC14H20N2S
Molecular Weight248.39 g/mol
Exact Mass248.13
IUPAC Name5,6,7,8-tetrahydroquinolin-8-yl(thiolan-3-yl)methanamine
SMILESNC(C1CCSC1)C1CCCc2cccnc21
InChIInChI=1S/C14H20N2S/c15-13(11-6-8-17-9-11)12-5-1-3-10-4-2-7-16-14(10)12/h2,4,7,11-13H,1,3,5-6,8-9,15H2
InChIKeyQQZULDRVYQKSIO-UHFFFAOYSA-N
XLogP2.58
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-dithian-2-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 79972508
[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(thiolan-3-yl)methyl]hydrazine
CID 105322125
cyclooctyl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine
CID 80604020
5,6,7,8-tetrahydroquinolin-8-yl-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 105007390
1,4-dithian-2-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 79972633
[cyclobutyl(5,6,7,8-tetrahydroquinolin-8-yl)methyl]hydrazine
CID 105224521
1,4-oxathian-2-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 79962484
(8R)-8-propan-2-yl-5,6,7,8-tetrahydroquinoline
CID 58752937
pyridin-3-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 79748903
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105166161
1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-amine
CID 79748417
furan-3-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 79748533

Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydroquinolin-8-yl(thiolan-3-yl)methanamine?
The IUPAC name of 5,6,7,8-tetrahydroquinolin-8-yl(thiolan-3-yl)methanamine (CID 105164783) is 5,6,7,8-tetrahydroquinolin-8-yl(thiolan-3-yl)methanamine.
What is the SMILES notation for 5,6,7,8-tetrahydroquinolin-8-yl(thiolan-3-yl)methanamine?
The canonical SMILES for 5,6,7,8-tetrahydroquinolin-8-yl(thiolan-3-yl)methanamine is NC(C1CCSC1)C1CCCc2cccnc21.
What is the InChIKey of 5,6,7,8-tetrahydroquinolin-8-yl(thiolan-3-yl)methanamine?
The InChIKey is QQZULDRVYQKSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2S/c15-13(11-6-8-17-9-11)12-5-1-3-10-4-2-7-16-14(10)12/h2,4,7,11-13H,1,3,5-6,8-9,15H2.
What are the key properties of 5,6,7,8-tetrahydroquinolin-8-yl(thiolan-3-yl)methanamine?
5,6,7,8-tetrahydroquinolin-8-yl(thiolan-3-yl)methanamine has a molecular weight of 248.39 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydroquinolin-8-yl(thiolan-3-yl)methanamine is sourced from PubChem (CID 105164783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).