3-(3,4-dihydro-2H-quinolin-1-ylmethyl)thiomorpholine

C14H20N2S — CID 82917784

IUPAC3-(3,4-dihydro-2H-quinolin-1-ylmethyl)thiomorpholine
SMILESc1ccc2c(c1)CCCN2CC1CSCCN1
InChIInChI=1S/C14H20N2S/c1-2-6-14-12(4-1)5-3-8-16(14)10-13-11-17-9-7-15-13/h1-2,4,6,13,15H,3,5,7-11H2
InChIKeyAFCGYNHWFLTEBT-UHFFFAOYSA-N
MW248.39 g/mol
LogP2.14
Rot. Bonds2

About 3-(3,4-dihydro-2H-quinolin-1-ylmethyl)thiomorpholine

3-(3,4-dihydro-2H-quinolin-1-ylmethyl)thiomorpholine (PubChem CID 82917784) has the molecular formula C14H20N2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-quinolin-1-ylmethyl)thiomorpholine.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-quinolin-1-ylmethyl)thiomorpholine
PubChem CID82917784
Molecular FormulaC14H20N2S
Molecular Weight248.39 g/mol
Exact Mass248.13
IUPAC Name3-(3,4-dihydro-2H-quinolin-1-ylmethyl)thiomorpholine
SMILESc1ccc2c(c1)CCCN2CC1CSCCN1
InChIInChI=1S/C14H20N2S/c1-2-6-14-12(4-1)5-3-8-16(14)10-13-11-17-9-7-15-13/h1-2,4,6,13,15H,3,5,7-11H2
InChIKeyAFCGYNHWFLTEBT-UHFFFAOYSA-N
XLogP2.14
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopentylmethyl)-3,4-dihydro-2H-quinoline
CID 82078705
N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119941383
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119938532
1-(azetidin-2-yl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethanol
CID 115007056
N-[3-(2,3-dihydroindol-1-yl)propyl]thiomorpholine-3-carboxamide
CID 82896756
1-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline
CID 112507559
1-(1-azabicyclo[2.2.2]octan-2-ylmethyl)-3,4-dihydro-2H-quinoline;hydrochloride
CID 3085415
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935667
1-(3-pyrrolidin-1-ylpropyl)-3,4-dihydro-2H-quinoline
CID 82085595
(3S,8aR)-3-(2,3-dihydroindol-1-ylmethyl)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine
CID 66972661
2-(3,4-dihydro-2H-quinolin-1-yl)-1-piperidin-2-ylethanone
CID 115006940
1-(azepan-2-ylmethyl)-6-methyl-3,4-dihydro-2H-quinoline
CID 64570967

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-ylmethyl)thiomorpholine?
The IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-ylmethyl)thiomorpholine (CID 82917784) is 3-(3,4-dihydro-2H-quinolin-1-ylmethyl)thiomorpholine.
What is the SMILES notation for 3-(3,4-dihydro-2H-quinolin-1-ylmethyl)thiomorpholine?
The canonical SMILES for 3-(3,4-dihydro-2H-quinolin-1-ylmethyl)thiomorpholine is c1ccc2c(c1)CCCN2CC1CSCCN1.
What is the InChIKey of 3-(3,4-dihydro-2H-quinolin-1-ylmethyl)thiomorpholine?
The InChIKey is AFCGYNHWFLTEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2S/c1-2-6-14-12(4-1)5-3-8-16(14)10-13-11-17-9-7-15-13/h1-2,4,6,13,15H,3,5,7-11H2.
What are the key properties of 3-(3,4-dihydro-2H-quinolin-1-ylmethyl)thiomorpholine?
3-(3,4-dihydro-2H-quinolin-1-ylmethyl)thiomorpholine has a molecular weight of 248.39 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-quinolin-1-ylmethyl)thiomorpholine is sourced from PubChem (CID 82917784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).