4-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)thiomorpholine

C14H20N2S — CID 43142581

IUPAC4-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)thiomorpholine
SMILESc1cc2c(cc1CN1CCSCC1)CCCN2
InChIInChI=1S/C14H20N2S/c1-2-13-10-12(3-4-14(13)15-5-1)11-16-6-8-17-9-7-16/h3-4,10,15H,1-2,5-9,11H2
InChIKeyFUZOXWFJALICDZ-UHFFFAOYSA-N
MW248.39 g/mol
LogP2.59
Rot. Bonds2

About 4-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)thiomorpholine

4-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)thiomorpholine (PubChem CID 43142581) has the molecular formula C14H20N2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 4-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)thiomorpholine.

Molecular Properties

Compound Name4-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)thiomorpholine
PubChem CID43142581
Molecular FormulaC14H20N2S
Molecular Weight248.39 g/mol
Exact Mass248.13
IUPAC Name4-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)thiomorpholine
SMILESc1cc2c(cc1CN1CCSCC1)CCCN2
InChIInChI=1S/C14H20N2S/c1-2-13-10-12(3-4-14(13)15-5-1)11-16-6-8-17-9-7-16/h3-4,10,15H,1-2,5-9,11H2
InChIKeyFUZOXWFJALICDZ-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,3-dihydro-1H-indol-5-ylmethyl)-1,4-thiazepane
CID 61419750
6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline
CID 28776156
6-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 28776130
6-[(4-propylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 28776065
7-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 115104347
7-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline
CID 82263603
6-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 114172453
4-(2,3-dihydro-1H-indol-5-ylmethyl)-1,4-thiazinane 1,1-dioxide
CID 43581612
6-[(3-ethylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 43584640
4-(1,2,3,4-tetrahydroquinolin-6-ylsulfonyl)thiomorpholine
CID 43119943
5-[(4-tert-butylpiperidin-1-yl)methyl]-2,3-dihydro-1H-indole
CID 62084010
6-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 103497168

Frequently Asked Questions

What is the IUPAC name of 4-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)thiomorpholine?
The IUPAC name of 4-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)thiomorpholine (CID 43142581) is 4-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)thiomorpholine.
What is the SMILES notation for 4-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)thiomorpholine?
The canonical SMILES for 4-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)thiomorpholine is c1cc2c(cc1CN1CCSCC1)CCCN2.
What is the InChIKey of 4-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)thiomorpholine?
The InChIKey is FUZOXWFJALICDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2S/c1-2-13-10-12(3-4-14(13)15-5-1)11-16-6-8-17-9-7-16/h3-4,10,15H,1-2,5-9,11H2.
What are the key properties of 4-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)thiomorpholine?
4-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)thiomorpholine has a molecular weight of 248.39 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)thiomorpholine is sourced from PubChem (CID 43142581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).