1,1-dioxo-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)-2,3-dihydrothiophen-3-amine

C14H18N2O2S — CID 80650427

IUPAC1,1-dioxo-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)-2,3-dihydrothiophen-3-amine
SMILESO=S1(=O)C=CC(NCc2cccc3c2NCCC3)C1
InChIInChI=1S/C14H18N2O2S/c17-19(18)8-6-13(10-19)16-9-12-4-1-3-11-5-2-7-15-14(11)12/h1,3-4,6,8,13,15-16H,2,5,7,9-10H2
InChIKeyDJYQFJORAPAOHC-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.45
Rot. Bonds3

About 1,1-dioxo-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)-2,3-dihydrothiophen-3-amine

1,1-dioxo-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)-2,3-dihydrothiophen-3-amine (PubChem CID 80650427) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 1,1-dioxo-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)-2,3-dihydrothiophen-3-amine.

Molecular Properties

Compound Name1,1-dioxo-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)-2,3-dihydrothiophen-3-amine
PubChem CID80650427
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name1,1-dioxo-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)-2,3-dihydrothiophen-3-amine
SMILESO=S1(=O)C=CC(NCc2cccc3c2NCCC3)C1
InChIInChI=1S/C14H18N2O2S/c17-19(18)8-6-13(10-19)16-9-12-4-1-3-11-5-2-7-15-14(11)12/h1,3-4,6,8,13,15-16H,2,5,7,9-10H2
InChIKeyDJYQFJORAPAOHC-UHFFFAOYSA-N
XLogP1.45
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1,1-dioxo-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)-2,3-dihydrothiophen-3-amine 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

4-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)cyclohexane-1-carboxamide
CID 80649920
N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)benzamide
CID 81423548
2-chloro-6-[[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]methyl]phenol
CID 112606991
3-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)propanamide
CID 80648694
methyl N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)carbamate
CID 81423829
2,3,4,5-tetrahydro-1H-1-benzazepin-9-ylmethanamine
CID 84655683
N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)piperidine-1-carboxamide
CID 81423205
4-ethyl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)cyclohexan-1-amine
CID 80648414
N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)cycloheptanecarboxamide
CID 81424228
N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propan-2-amine
CID 80648504
2-ethyl-6-methyl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline
CID 80649030
2-methoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)cyclopentan-1-amine
CID 80649519

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)-2,3-dihydrothiophen-3-amine?
The IUPAC name of 1,1-dioxo-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)-2,3-dihydrothiophen-3-amine (CID 80650427) is 1,1-dioxo-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)-2,3-dihydrothiophen-3-amine.
What is the SMILES notation for 1,1-dioxo-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)-2,3-dihydrothiophen-3-amine?
The canonical SMILES for 1,1-dioxo-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)-2,3-dihydrothiophen-3-amine is O=S1(=O)C=CC(NCc2cccc3c2NCCC3)C1.
What is the InChIKey of 1,1-dioxo-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)-2,3-dihydrothiophen-3-amine?
The InChIKey is DJYQFJORAPAOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c17-19(18)8-6-13(10-19)16-9-12-4-1-3-11-5-2-7-15-14(11)12/h1,3-4,6,8,13,15-16H,2,5,7,9-10H2.
What are the key properties of 1,1-dioxo-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)-2,3-dihydrothiophen-3-amine?
1,1-dioxo-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)-2,3-dihydrothiophen-3-amine has a molecular weight of 278.38 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)-2,3-dihydrothiophen-3-amine is sourced from PubChem (CID 80650427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).