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

C15H21NO3S — CID 115075238

IUPAC4-methyl-4-(1,2,3,4-tetrahydroquinolin-6-yloxy)thiane 1,1-dioxide
SMILESCC1(Oc2ccc3c(c2)CCCN3)CCS(=O)(=O)CC1
InChIInChI=1S/C15H21NO3S/c1-15(6-9-20(17,18)10-7-15)19-13-4-5-14-12(11-13)3-2-8-16-14/h4-5,11,16H,2-3,6-10H2,1H3
InChIKeyCPELTTHCTLEWDG-UHFFFAOYSA-N
MW295.40 g/mol
LogP2.39
Rot. Bonds2

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

4-methyl-4-(1,2,3,4-tetrahydroquinolin-6-yloxy)thiane 1,1-dioxide (PubChem CID 115075238) 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-6-yloxy)thiane 1,1-dioxide.

Molecular Properties

Compound Name4-methyl-4-(1,2,3,4-tetrahydroquinolin-6-yloxy)thiane 1,1-dioxide
PubChem CID115075238
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC Name4-methyl-4-(1,2,3,4-tetrahydroquinolin-6-yloxy)thiane 1,1-dioxide
SMILESCC1(Oc2ccc3c(c2)CCCN3)CCS(=O)(=O)CC1
InChIInChI=1S/C15H21NO3S/c1-15(6-9-20(17,18)10-7-15)19-13-4-5-14-12(11-13)3-2-8-16-14/h4-5,11,16H,2-3,6-10H2,1H3
InChIKeyCPELTTHCTLEWDG-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

Computed Properties (RDKit)

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

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Related Compounds

6-(1,4-dimethylpiperidin-4-yl)oxy-1,2,3,4-tetrahydroquinoline
CID 115075243
5-(1-methylcyclopentyl)oxy-2,3-dihydro-1H-indole
CID 115074494
4-methyl-4-(1,2,3,4-tetrahydroquinolin-6-yloxymethyl)thiane 1,1-dioxide
CID 115075339
6-(3-methylazetidin-3-yl)oxy-1,2,3,4-tetrahydroquinoline
CID 115075316
5-(1,4,4-trimethylcyclohexyl)oxy-2,3-dihydro-1H-indole
CID 115074571
7-(1-methylcyclobutyl)oxy-1,2,3,4-tetrahydroquinoline
CID 115075397
4-methyl-4-(1,2,3,4-tetrahydroquinolin-5-yloxy)thiane 1,1-dioxide
CID 115075054
3-methyl-3-(1,2,3,4-tetrahydroquinolin-6-yloxymethyl)thiane 1,1-dioxide
CID 115075355
7-(1,4-dimethylpiperidin-4-yl)oxy-1,2,3,4-tetrahydroquinoline
CID 115075422
4-(1,2,3,4-tetrahydroquinolin-6-yloxymethyl)thiane 1,1-dioxide
CID 115075338
6-[(4,4-dimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075304
7-(1-methylcyclopentyl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076487

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-(1,2,3,4-tetrahydroquinolin-6-yloxy)thiane 1,1-dioxide?
The IUPAC name of 4-methyl-4-(1,2,3,4-tetrahydroquinolin-6-yloxy)thiane 1,1-dioxide (CID 115075238) is 4-methyl-4-(1,2,3,4-tetrahydroquinolin-6-yloxy)thiane 1,1-dioxide.
What is the SMILES notation for 4-methyl-4-(1,2,3,4-tetrahydroquinolin-6-yloxy)thiane 1,1-dioxide?
The canonical SMILES for 4-methyl-4-(1,2,3,4-tetrahydroquinolin-6-yloxy)thiane 1,1-dioxide is CC1(Oc2ccc3c(c2)CCCN3)CCS(=O)(=O)CC1.
What is the InChIKey of 4-methyl-4-(1,2,3,4-tetrahydroquinolin-6-yloxy)thiane 1,1-dioxide?
The InChIKey is CPELTTHCTLEWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3S/c1-15(6-9-20(17,18)10-7-15)19-13-4-5-14-12(11-13)3-2-8-16-14/h4-5,11,16H,2-3,6-10H2,1H3.
What are the key properties of 4-methyl-4-(1,2,3,4-tetrahydroquinolin-6-yloxy)thiane 1,1-dioxide?
4-methyl-4-(1,2,3,4-tetrahydroquinolin-6-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-6-yloxy)thiane 1,1-dioxide is sourced from PubChem (CID 115075238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).