1,4-dithian-2-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanamine

C14H20N2S2 — CID 79972508

IUPAC1,4-dithian-2-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
SMILESNC(C1CSCCS1)C1CCCc2cccnc21
InChIInChI=1S/C14H20N2S2/c15-13(12-9-17-7-8-18-12)11-5-1-3-10-4-2-6-16-14(10)11/h2,4,6,11-13H,1,3,5,7-9,15H2
InChIKeyJBTMMKBDHBMJKE-UHFFFAOYSA-N
MW280.46 g/mol
LogP2.68
Rot. Bonds2

About 1,4-dithian-2-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanamine

1,4-dithian-2-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanamine (PubChem CID 79972508) has the molecular formula C14H20N2S2 and a molecular weight of 280.46 g/mol. Its IUPAC name is 1,4-dithian-2-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanamine.

Molecular Properties

Compound Name1,4-dithian-2-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
PubChem CID79972508
Molecular FormulaC14H20N2S2
Molecular Weight280.46 g/mol
Exact Mass280.11
IUPAC Name1,4-dithian-2-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
SMILESNC(C1CSCCS1)C1CCCc2cccnc21
InChIInChI=1S/C14H20N2S2/c15-13(12-9-17-7-8-18-12)11-5-1-3-10-4-2-6-16-14(10)11/h2,4,6,11-13H,1,3,5,7-9,15H2
InChIKeyJBTMMKBDHBMJKE-UHFFFAOYSA-N
XLogP2.68
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1,4-dithian-2-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,4-dithian-2-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 79972633
5,6,7,8-tetrahydroquinolin-8-yl(thiolan-3-yl)methanamine
CID 105164783
5,6,7,8-tetrahydroquinolin-8-yl-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 105007390
N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(1,4-dithian-2-yl)methyl]ethanamine
CID 79966609
N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)-1-(thiolan-2-yl)methanamine
CID 80621797
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
(3-methyl-1,4-dithian-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 115386297
cyclooctyl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine
CID 80604020
[cyclobutyl(5,6,7,8-tetrahydroquinolin-8-yl)methyl]hydrazine
CID 105224521
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 1,4-dithian-2-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanamine?
The IUPAC name of 1,4-dithian-2-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanamine (CID 79972508) is 1,4-dithian-2-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanamine.
What is the SMILES notation for 1,4-dithian-2-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanamine?
The canonical SMILES for 1,4-dithian-2-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanamine is NC(C1CSCCS1)C1CCCc2cccnc21.
What is the InChIKey of 1,4-dithian-2-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanamine?
The InChIKey is JBTMMKBDHBMJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2S2/c15-13(12-9-17-7-8-18-12)11-5-1-3-10-4-2-6-16-14(10)11/h2,4,6,11-13H,1,3,5,7-9,15H2.
What are the key properties of 1,4-dithian-2-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanamine?
1,4-dithian-2-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanamine has a molecular weight of 280.46 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dithian-2-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanamine is sourced from PubChem (CID 79972508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).