2-(1,2,3,4-tetrahydroquinolin-3-yl)thiazinane 1,1-dioxide

C13H18N2O2S — CID 116814629

IUPAC2-(1,2,3,4-tetrahydroquinolin-3-yl)thiazinane 1,1-dioxide
SMILESO=S1(=O)CCCCN1C1CNc2ccccc2C1
InChIInChI=1S/C13H18N2O2S/c16-18(17)8-4-3-7-15(18)12-9-11-5-1-2-6-13(11)14-10-12/h1-2,5-6,12,14H,3-4,7-10H2
InChIKeyINIXXKVIRIRKGW-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.45
Rot. Bonds1

About 2-(1,2,3,4-tetrahydroquinolin-3-yl)thiazinane 1,1-dioxide

2-(1,2,3,4-tetrahydroquinolin-3-yl)thiazinane 1,1-dioxide (PubChem CID 116814629) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 2-(1,2,3,4-tetrahydroquinolin-3-yl)thiazinane 1,1-dioxide.

Molecular Properties

Compound Name2-(1,2,3,4-tetrahydroquinolin-3-yl)thiazinane 1,1-dioxide
PubChem CID116814629
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name2-(1,2,3,4-tetrahydroquinolin-3-yl)thiazinane 1,1-dioxide
SMILESO=S1(=O)CCCCN1C1CNc2ccccc2C1
InChIInChI=1S/C13H18N2O2S/c16-18(17)8-4-3-7-15(18)12-9-11-5-1-2-6-13(11)14-10-12/h1-2,5-6,12,14H,3-4,7-10H2
InChIKeyINIXXKVIRIRKGW-UHFFFAOYSA-N
XLogP1.45
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1,2,3,4-tetrahydroquinolin-3-yl)thiazinane 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-(1,2,3,4-tetrahydroquinolin-3-yl)-1,4-oxazepane
CID 62973234
(3S)-3-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline
CID 70239123
N,N-dimethyl-1-(1,2,3,4-tetrahydroquinolin-3-yl)piperidin-4-amine
CID 54861271
3-(4-propan-2-ylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline
CID 103496426
3-(2,4-dimethylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline
CID 55061951
3-imidazol-1-yl-1,2,3,4-tetrahydroquinoline
CID 54595708
(1-methylpiperidin-4-yl) 1,2,3,4-tetrahydroquinoline-3-carboxylate
CID 106902774
(3S)-1,2,3,4-tetrahydroquinoline-3-carboxylic acid
CID 34181194
3-(1-methylpiperidin-4-yl)-1,2,3,4-tetrahydroquinoline
CID 118462093
1,2-oxazolidin-2-yl(1,2,3,4-tetrahydroquinolin-3-yl)methanone
CID 106901703
3-(azetidin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline
CID 105454799
2,8-dimethyl-5-(1,2,3,4-tetrahydroquinolin-3-yl)-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 67378949

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,4-tetrahydroquinolin-3-yl)thiazinane 1,1-dioxide?
The IUPAC name of 2-(1,2,3,4-tetrahydroquinolin-3-yl)thiazinane 1,1-dioxide (CID 116814629) is 2-(1,2,3,4-tetrahydroquinolin-3-yl)thiazinane 1,1-dioxide.
What is the SMILES notation for 2-(1,2,3,4-tetrahydroquinolin-3-yl)thiazinane 1,1-dioxide?
The canonical SMILES for 2-(1,2,3,4-tetrahydroquinolin-3-yl)thiazinane 1,1-dioxide is O=S1(=O)CCCCN1C1CNc2ccccc2C1.
What is the InChIKey of 2-(1,2,3,4-tetrahydroquinolin-3-yl)thiazinane 1,1-dioxide?
The InChIKey is INIXXKVIRIRKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c16-18(17)8-4-3-7-15(18)12-9-11-5-1-2-6-13(11)14-10-12/h1-2,5-6,12,14H,3-4,7-10H2.
What are the key properties of 2-(1,2,3,4-tetrahydroquinolin-3-yl)thiazinane 1,1-dioxide?
2-(1,2,3,4-tetrahydroquinolin-3-yl)thiazinane 1,1-dioxide has a molecular weight of 266.37 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,4-tetrahydroquinolin-3-yl)thiazinane 1,1-dioxide is sourced from PubChem (CID 116814629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).