(3-ethyl-1,4-dithian-2-yl)-quinolin-3-ylmethanamine

C16H20N2S2 — CID 115387663

IUPAC(3-ethyl-1,4-dithian-2-yl)-quinolin-3-ylmethanamine
SMILESCCC1SCCSC1C(N)c1cnc2ccccc2c1
InChIInChI=1S/C16H20N2S2/c1-2-14-16(20-8-7-19-14)15(17)12-9-11-5-3-4-6-13(11)18-10-12/h3-6,9-10,14-16H,2,7-8,17H2,1H3
InChIKeySXGMHCGBEAFUDN-UHFFFAOYSA-N
MW304.48 g/mol
LogP3.86
Rot. Bonds3

About (3-ethyl-1,4-dithian-2-yl)-quinolin-3-ylmethanamine

(3-ethyl-1,4-dithian-2-yl)-quinolin-3-ylmethanamine (PubChem CID 115387663) has the molecular formula C16H20N2S2 and a molecular weight of 304.48 g/mol. Its IUPAC name is (3-ethyl-1,4-dithian-2-yl)-quinolin-3-ylmethanamine.

Molecular Properties

Compound Name(3-ethyl-1,4-dithian-2-yl)-quinolin-3-ylmethanamine
PubChem CID115387663
Molecular FormulaC16H20N2S2
Molecular Weight304.48 g/mol
Exact Mass304.11
IUPAC Name(3-ethyl-1,4-dithian-2-yl)-quinolin-3-ylmethanamine
SMILESCCC1SCCSC1C(N)c1cnc2ccccc2c1
InChIInChI=1S/C16H20N2S2/c1-2-14-16(20-8-7-19-14)15(17)12-9-11-5-3-4-6-13(11)18-10-12/h3-6,9-10,14-16H,2,7-8,17H2,1H3
InChIKeySXGMHCGBEAFUDN-UHFFFAOYSA-N
XLogP3.86
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3-ethyl-1,4-dithian-2-yl)-quinolin-3-ylmethanamine 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

quinolin-3-yl(thiolan-2-yl)methanamine
CID 80622472
(3-ethyl-1,4-dithian-2-yl)-(4-methylphenyl)methanamine
CID 115387500
(3-ethyl-1,4-dithian-2-yl)-quinolin-3-ylmethanone
CID 115386029
[(3-ethyl-1,4-dithian-2-yl)-quinolin-7-ylmethyl]hydrazine
CID 105259841
(3-ethyl-1,4-dithian-2-yl)-(4-propan-2-yloxyphenyl)methanamine
CID 115387682
(3-ethyl-1,4-dithian-2-yl)-[3-(trifluoromethoxy)phenyl]methanamine
CID 115387502
2-amino-2-quinolin-3-ylethanol;ethene
CID 142317274
2-phenyl-1-quinolin-3-ylbutan-1-amine
CID 115798275
(4,4-difluorocyclohexyl)-quinolin-3-ylmethanamine
CID 105097828
(4-chloro-2-fluorophenyl)-(3-ethyl-1,4-dithian-2-yl)methanamine
CID 115387570
(1S)-1-quinolin-3-ylbut-3-en-1-amine
CID 55271973
(4-propan-2-ylmorpholin-2-yl)-quinolin-3-ylmethanamine
CID 79665562

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-1,4-dithian-2-yl)-quinolin-3-ylmethanamine?
The IUPAC name of (3-ethyl-1,4-dithian-2-yl)-quinolin-3-ylmethanamine (CID 115387663) is (3-ethyl-1,4-dithian-2-yl)-quinolin-3-ylmethanamine.
What is the SMILES notation for (3-ethyl-1,4-dithian-2-yl)-quinolin-3-ylmethanamine?
The canonical SMILES for (3-ethyl-1,4-dithian-2-yl)-quinolin-3-ylmethanamine is CCC1SCCSC1C(N)c1cnc2ccccc2c1.
What is the InChIKey of (3-ethyl-1,4-dithian-2-yl)-quinolin-3-ylmethanamine?
The InChIKey is SXGMHCGBEAFUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2S2/c1-2-14-16(20-8-7-19-14)15(17)12-9-11-5-3-4-6-13(11)18-10-12/h3-6,9-10,14-16H,2,7-8,17H2,1H3.
What are the key properties of (3-ethyl-1,4-dithian-2-yl)-quinolin-3-ylmethanamine?
(3-ethyl-1,4-dithian-2-yl)-quinolin-3-ylmethanamine has a molecular weight of 304.48 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-1,4-dithian-2-yl)-quinolin-3-ylmethanamine is sourced from PubChem (CID 115387663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).