3-methyl-3-(1,2,3,4-tetrahydroquinolin-6-yloxymethyl)thiane 1,1-dioxide

C16H23NO3S — CID 115075355

IUPAC3-methyl-3-(1,2,3,4-tetrahydroquinolin-6-yloxymethyl)thiane 1,1-dioxide
SMILESCC1(COc2ccc3c(c2)CCCN3)CCCS(=O)(=O)C1
InChIInChI=1S/C16H23NO3S/c1-16(7-3-9-21(18,19)12-16)11-20-14-5-6-15-13(10-14)4-2-8-17-15/h5-6,10,17H,2-4,7-9,11-12H2,1H3
InChIKeyQLUCINZYCGKDRG-UHFFFAOYSA-N
MW309.43 g/mol
LogP2.64
Rot. Bonds3

About 3-methyl-3-(1,2,3,4-tetrahydroquinolin-6-yloxymethyl)thiane 1,1-dioxide

3-methyl-3-(1,2,3,4-tetrahydroquinolin-6-yloxymethyl)thiane 1,1-dioxide (PubChem CID 115075355) has the molecular formula C16H23NO3S and a molecular weight of 309.43 g/mol. Its IUPAC name is 3-methyl-3-(1,2,3,4-tetrahydroquinolin-6-yloxymethyl)thiane 1,1-dioxide.

Molecular Properties

Compound Name3-methyl-3-(1,2,3,4-tetrahydroquinolin-6-yloxymethyl)thiane 1,1-dioxide
PubChem CID115075355
Molecular FormulaC16H23NO3S
Molecular Weight309.43 g/mol
Exact Mass309.14
IUPAC Name3-methyl-3-(1,2,3,4-tetrahydroquinolin-6-yloxymethyl)thiane 1,1-dioxide
SMILESCC1(COc2ccc3c(c2)CCCN3)CCCS(=O)(=O)C1
InChIInChI=1S/C16H23NO3S/c1-16(7-3-9-21(18,19)12-16)11-20-14-5-6-15-13(10-14)4-2-8-17-15/h5-6,10,17H,2-4,7-9,11-12H2,1H3
InChIKeyQLUCINZYCGKDRG-UHFFFAOYSA-N
XLogP2.64
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 3-methyl-3-(1,2,3,4-tetrahydroquinolin-6-yloxymethyl)thiane 1,1-dioxide 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-methyl-4-(1,2,3,4-tetrahydroquinolin-6-yloxymethyl)thiane 1,1-dioxide
CID 115075339
6-[(1-ethyl-3-methylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075288
4-methyl-4-(1,2,3,4-tetrahydroquinolin-6-yloxy)thiane 1,1-dioxide
CID 115075238
4-(1,2,3,4-tetrahydroquinolin-6-yloxymethyl)thiane 1,1-dioxide
CID 115075338
3-(2,3-dihydro-1H-indol-7-yloxymethyl)-3-methylthiane 1,1-dioxide
CID 115074990
7-[(1,3-dimethylpiperidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075538
7-[(1,3-dimethylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075463
6-[(4,4-dimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075304
7-[(1,4-dimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075481
3-methyl-3-(1,2,3,4-tetrahydroisoquinolin-8-yloxymethyl)thiane 1,1-dioxide
CID 115076812
3-methyl-3-(1,2,3,4-tetrahydroisoquinolin-5-yloxymethyl)thiane 1,1-dioxide
CID 115076253
6-(1,4-dimethylpiperidin-4-yl)oxy-1,2,3,4-tetrahydroquinoline
CID 115075243

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(1,2,3,4-tetrahydroquinolin-6-yloxymethyl)thiane 1,1-dioxide?
The IUPAC name of 3-methyl-3-(1,2,3,4-tetrahydroquinolin-6-yloxymethyl)thiane 1,1-dioxide (CID 115075355) is 3-methyl-3-(1,2,3,4-tetrahydroquinolin-6-yloxymethyl)thiane 1,1-dioxide.
What is the SMILES notation for 3-methyl-3-(1,2,3,4-tetrahydroquinolin-6-yloxymethyl)thiane 1,1-dioxide?
The canonical SMILES for 3-methyl-3-(1,2,3,4-tetrahydroquinolin-6-yloxymethyl)thiane 1,1-dioxide is CC1(COc2ccc3c(c2)CCCN3)CCCS(=O)(=O)C1.
What is the InChIKey of 3-methyl-3-(1,2,3,4-tetrahydroquinolin-6-yloxymethyl)thiane 1,1-dioxide?
The InChIKey is QLUCINZYCGKDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3S/c1-16(7-3-9-21(18,19)12-16)11-20-14-5-6-15-13(10-14)4-2-8-17-15/h5-6,10,17H,2-4,7-9,11-12H2,1H3.
What are the key properties of 3-methyl-3-(1,2,3,4-tetrahydroquinolin-6-yloxymethyl)thiane 1,1-dioxide?
3-methyl-3-(1,2,3,4-tetrahydroquinolin-6-yloxymethyl)thiane 1,1-dioxide has a molecular weight of 309.43 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(1,2,3,4-tetrahydroquinolin-6-yloxymethyl)thiane 1,1-dioxide is sourced from PubChem (CID 115075355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).