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

C15H21NO3S — CID 115075338

IUPAC4-(1,2,3,4-tetrahydroquinolin-6-yloxymethyl)thiane 1,1-dioxide
SMILESO=S1(=O)CCC(COc2ccc3c(c2)CCCN3)CC1
InChIInChI=1S/C15H21NO3S/c17-20(18)8-5-12(6-9-20)11-19-14-3-4-15-13(10-14)2-1-7-16-15/h3-4,10,12,16H,1-2,5-9,11H2
InChIKeyJZQKDJVBVYFUHK-UHFFFAOYSA-N
MW295.40 g/mol
LogP2.25
Rot. Bonds3

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

4-(1,2,3,4-tetrahydroquinolin-6-yloxymethyl)thiane 1,1-dioxide (PubChem CID 115075338) has the molecular formula C15H21NO3S and a molecular weight of 295.40 g/mol. Its IUPAC name is 4-(1,2,3,4-tetrahydroquinolin-6-yloxymethyl)thiane 1,1-dioxide.

Molecular Properties

Compound Name4-(1,2,3,4-tetrahydroquinolin-6-yloxymethyl)thiane 1,1-dioxide
PubChem CID115075338
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC Name4-(1,2,3,4-tetrahydroquinolin-6-yloxymethyl)thiane 1,1-dioxide
SMILESO=S1(=O)CCC(COc2ccc3c(c2)CCCN3)CC1
InChIInChI=1S/C15H21NO3S/c17-20(18)8-5-12(6-9-20)11-19-14-3-4-15-13(10-14)2-1-7-16-15/h3-4,10,12,16H,1-2,5-9,11H2
InChIKeyJZQKDJVBVYFUHK-UHFFFAOYSA-N
XLogP2.25
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 52.25
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

4-(1,2,3,4-tetrahydroquinolin-7-yloxymethyl)thiane 1,1-dioxide
CID 115075515
6-[(4,4-dimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075304
6-[(1-methylpyrrolidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075329
4-methyl-4-(1,2,3,4-tetrahydroquinolin-6-yloxymethyl)thiane 1,1-dioxide
CID 115075339
5-[(4-methylcyclohexyl)methoxy]-2,3-dihydro-1H-indole
CID 115074576
5-(thian-4-ylmethoxy)-2,3-dihydro-1H-indole
CID 115074613
4-methyl-4-(1,2,3,4-tetrahydroquinolin-6-yloxy)thiane 1,1-dioxide
CID 115075238
3-methyl-3-(1,2,3,4-tetrahydroquinolin-6-yloxymethyl)thiane 1,1-dioxide
CID 115075355
5-(oxetan-3-ylmethoxy)-2,3-dihydro-1H-indole
CID 115074550
5-(thian-3-ylmethoxy)-2,3-dihydro-1H-indole
CID 115074629
4-[(14-ethyl-5-tricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaenyl)oxymethyl]thiane 1,1-dioxide
CID 163856837
5-(pyrrolidin-2-ylmethoxy)-2,3-dihydro-1H-indole
CID 115074528

Frequently Asked Questions

What is the IUPAC name of 4-(1,2,3,4-tetrahydroquinolin-6-yloxymethyl)thiane 1,1-dioxide?
The IUPAC name of 4-(1,2,3,4-tetrahydroquinolin-6-yloxymethyl)thiane 1,1-dioxide (CID 115075338) is 4-(1,2,3,4-tetrahydroquinolin-6-yloxymethyl)thiane 1,1-dioxide.
What is the SMILES notation for 4-(1,2,3,4-tetrahydroquinolin-6-yloxymethyl)thiane 1,1-dioxide?
The canonical SMILES for 4-(1,2,3,4-tetrahydroquinolin-6-yloxymethyl)thiane 1,1-dioxide is O=S1(=O)CCC(COc2ccc3c(c2)CCCN3)CC1.
What is the InChIKey of 4-(1,2,3,4-tetrahydroquinolin-6-yloxymethyl)thiane 1,1-dioxide?
The InChIKey is JZQKDJVBVYFUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3S/c17-20(18)8-5-12(6-9-20)11-19-14-3-4-15-13(10-14)2-1-7-16-15/h3-4,10,12,16H,1-2,5-9,11H2.
What are the key properties of 4-(1,2,3,4-tetrahydroquinolin-6-yloxymethyl)thiane 1,1-dioxide?
4-(1,2,3,4-tetrahydroquinolin-6-yloxymethyl)thiane 1,1-dioxide has a molecular weight of 295.40 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,3,4-tetrahydroquinolin-6-yloxymethyl)thiane 1,1-dioxide is sourced from PubChem (CID 115075338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).