N-(1,1-dioxothiolan-3-yl)-N-methyl-1,2,3,4-tetrahydroquinolin-8-amine

C14H20N2O2S — CID 81215580

IUPACN-(1,1-dioxothiolan-3-yl)-N-methyl-1,2,3,4-tetrahydroquinolin-8-amine
SMILESCN(c1cccc2c1NCCC2)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H20N2O2S/c1-16(12-7-9-19(17,18)10-12)13-6-2-4-11-5-3-8-15-14(11)13/h2,4,6,12,15H,3,5,7-10H2,1H3
InChIKeyUBWUSCMIHSCLEG-UHFFFAOYSA-N
MW280.39 g/mol
LogP1.67
Rot. Bonds2

About N-(1,1-dioxothiolan-3-yl)-N-methyl-1,2,3,4-tetrahydroquinolin-8-amine

N-(1,1-dioxothiolan-3-yl)-N-methyl-1,2,3,4-tetrahydroquinolin-8-amine (PubChem CID 81215580) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-methyl-1,2,3,4-tetrahydroquinolin-8-amine.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-methyl-1,2,3,4-tetrahydroquinolin-8-amine
PubChem CID81215580
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-methyl-1,2,3,4-tetrahydroquinolin-8-amine
SMILESCN(c1cccc2c1NCCC2)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H20N2O2S/c1-16(12-7-9-19(17,18)10-12)13-6-2-4-11-5-3-8-15-14(11)13/h2,4,6,12,15H,3,5,7-10H2,1H3
InChIKeyUBWUSCMIHSCLEG-UHFFFAOYSA-N
XLogP1.67
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1,1-dioxothiolan-3-yl)-N-methyl-1,2,3,4-tetrahydroquinolin-8-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

N-methyl-N-(3-methylphenyl)-1,2,3,4-tetrahydroquinolin-8-amine
CID 81214941
1-N-(1,1-dioxothiolan-3-yl)-1-N,4-dimethylbenzene-1,2-diamine
CID 43648562
1-[2-[(1,1-dioxothiolan-3-yl)-methylamino]-6-fluorophenyl]ethanone
CID 43648808
N-[2-(2-aminoethyl)phenyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 63783247
6-amino-7-[(1,1-dioxothiolan-3-yl)-methylamino]-3,4-dihydro-1H-quinolin-2-one
CID 43648549
N-ethyl-N-(2-fluorophenyl)-1,2,3,4-tetrahydroquinolin-8-amine
CID 81215536
2-[methyl(1,2,3,4-tetrahydroquinolin-8-yl)amino]-N-propan-2-ylacetamide
CID 81214863
1-N-(1,1-dioxothiolan-3-yl)-1-N-methyl-4-(trifluoromethyl)benzene-1,2-diamine
CID 43648523
2-bromo-6-[(1,1-dioxothiolan-3-yl)-methylamino]-N'-hydroxybenzenecarboximidamide
CID 114883124
4-[(1,1-dioxothiolan-3-yl)-methylamino]pyridine-3-carboxylic acid
CID 81232650
2-N-(1,1-dioxothiolan-3-yl)-2-N-methylpyridine-2,3-diamine
CID 43648521
8-(2-azabicyclo[2.2.1]heptan-2-yl)-1,2,3,4-tetrahydroquinoline
CID 81215369

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methyl-1,2,3,4-tetrahydroquinolin-8-amine?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methyl-1,2,3,4-tetrahydroquinolin-8-amine (CID 81215580) is N-(1,1-dioxothiolan-3-yl)-N-methyl-1,2,3,4-tetrahydroquinolin-8-amine.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-methyl-1,2,3,4-tetrahydroquinolin-8-amine?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-methyl-1,2,3,4-tetrahydroquinolin-8-amine is CN(c1cccc2c1NCCC2)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-methyl-1,2,3,4-tetrahydroquinolin-8-amine?
The InChIKey is UBWUSCMIHSCLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-16(12-7-9-19(17,18)10-12)13-6-2-4-11-5-3-8-15-14(11)13/h2,4,6,12,15H,3,5,7-10H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-methyl-1,2,3,4-tetrahydroquinolin-8-amine?
N-(1,1-dioxothiolan-3-yl)-N-methyl-1,2,3,4-tetrahydroquinolin-8-amine has a molecular weight of 280.39 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-methyl-1,2,3,4-tetrahydroquinolin-8-amine is sourced from PubChem (CID 81215580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).