4-methyl-4-(1,2,3,4-tetrahydroquinolin-5-yloxy)thiane 1,1-dioxide

C15H21NO3S — CID 115075054

IUPAC4-methyl-4-(1,2,3,4-tetrahydroquinolin-5-yloxy)thiane 1,1-dioxide
SMILESCC1(Oc2cccc3c2CCCN3)CCS(=O)(=O)CC1
InChIInChI=1S/C15H21NO3S/c1-15(7-10-20(17,18)11-8-15)19-14-6-2-5-13-12(14)4-3-9-16-13/h2,5-6,16H,3-4,7-11H2,1H3
InChIKeyXTHNQWNDYIGERW-UHFFFAOYSA-N
MW295.40 g/mol
LogP2.39
Rot. Bonds2

About 4-methyl-4-(1,2,3,4-tetrahydroquinolin-5-yloxy)thiane 1,1-dioxide

4-methyl-4-(1,2,3,4-tetrahydroquinolin-5-yloxy)thiane 1,1-dioxide (PubChem CID 115075054) has the molecular formula C15H21NO3S and a molecular weight of 295.40 g/mol. Its IUPAC name is 4-methyl-4-(1,2,3,4-tetrahydroquinolin-5-yloxy)thiane 1,1-dioxide.

Molecular Properties

Compound Name4-methyl-4-(1,2,3,4-tetrahydroquinolin-5-yloxy)thiane 1,1-dioxide
PubChem CID115075054
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC Name4-methyl-4-(1,2,3,4-tetrahydroquinolin-5-yloxy)thiane 1,1-dioxide
SMILESCC1(Oc2cccc3c2CCCN3)CCS(=O)(=O)CC1
InChIInChI=1S/C15H21NO3S/c1-15(7-10-20(17,18)11-8-15)19-14-6-2-5-13-12(14)4-3-9-16-13/h2,5-6,16H,3-4,7-11H2,1H3
InChIKeyXTHNQWNDYIGERW-UHFFFAOYSA-N
XLogP2.39
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-methylcyclobutyl)oxy-2,3-dihydro-1H-indole
CID 115074311
4-(4-methylpiperidin-4-yl)oxy-2,3-dihydro-1H-indole
CID 115074334
4-methyl-4-(1,2,3,4-tetrahydroquinolin-6-yloxy)thiane 1,1-dioxide
CID 115075238
5-methoxy-1,2,3,4-tetrahydroquinoline;dihydrochloride
CID 133058760
5-[(1,4,4-trimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075120
5-[(1,4-dimethylpiperidin-4-yl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075159
4-(1-ethyl-3-methylazetidin-3-yl)oxy-2,3-dihydro-1H-indole
CID 115074411
5-[(2-methyloxolan-2-yl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075064
(1,1-dioxo-1,4-thiazepan-4-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone
CID 104954785
5-(4,4-dimethylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline
CID 81214740
5-[(1-ethyl-3-methylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075103
5-(1-methylcyclobutyl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076117

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-(1,2,3,4-tetrahydroquinolin-5-yloxy)thiane 1,1-dioxide?
The IUPAC name of 4-methyl-4-(1,2,3,4-tetrahydroquinolin-5-yloxy)thiane 1,1-dioxide (CID 115075054) is 4-methyl-4-(1,2,3,4-tetrahydroquinolin-5-yloxy)thiane 1,1-dioxide.
What is the SMILES notation for 4-methyl-4-(1,2,3,4-tetrahydroquinolin-5-yloxy)thiane 1,1-dioxide?
The canonical SMILES for 4-methyl-4-(1,2,3,4-tetrahydroquinolin-5-yloxy)thiane 1,1-dioxide is CC1(Oc2cccc3c2CCCN3)CCS(=O)(=O)CC1.
What is the InChIKey of 4-methyl-4-(1,2,3,4-tetrahydroquinolin-5-yloxy)thiane 1,1-dioxide?
The InChIKey is XTHNQWNDYIGERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3S/c1-15(7-10-20(17,18)11-8-15)19-14-6-2-5-13-12(14)4-3-9-16-13/h2,5-6,16H,3-4,7-11H2,1H3.
What are the key properties of 4-methyl-4-(1,2,3,4-tetrahydroquinolin-5-yloxy)thiane 1,1-dioxide?
4-methyl-4-(1,2,3,4-tetrahydroquinolin-5-yloxy)thiane 1,1-dioxide has a molecular weight of 295.40 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-(1,2,3,4-tetrahydroquinolin-5-yloxy)thiane 1,1-dioxide is sourced from PubChem (CID 115075054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).