7-(thiolan-3-ylmethoxy)-1,2,3,4-tetrahydroquinoline

C14H19NOS — CID 115075504

IUPAC7-(thiolan-3-ylmethoxy)-1,2,3,4-tetrahydroquinoline
SMILESc1cc2c(cc1OCC1CCSC1)NCCC2
InChIInChI=1S/C14H19NOS/c1-2-12-3-4-13(8-14(12)15-6-1)16-9-11-5-7-17-10-11/h3-4,8,11,15H,1-2,5-7,9-10H2
InChIKeyIIECALKZPSCJGN-UHFFFAOYSA-N
MW249.38 g/mol
LogP3.18
Rot. Bonds3

About 7-(thiolan-3-ylmethoxy)-1,2,3,4-tetrahydroquinoline

7-(thiolan-3-ylmethoxy)-1,2,3,4-tetrahydroquinoline (PubChem CID 115075504) has the molecular formula C14H19NOS and a molecular weight of 249.38 g/mol. Its IUPAC name is 7-(thiolan-3-ylmethoxy)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name7-(thiolan-3-ylmethoxy)-1,2,3,4-tetrahydroquinoline
PubChem CID115075504
Molecular FormulaC14H19NOS
Molecular Weight249.38 g/mol
Exact Mass249.12
IUPAC Name7-(thiolan-3-ylmethoxy)-1,2,3,4-tetrahydroquinoline
SMILESc1cc2c(cc1OCC1CCSC1)NCCC2
InChIInChI=1S/C14H19NOS/c1-2-12-3-4-13(8-14(12)15-6-1)16-9-11-5-7-17-10-11/h3-4,8,11,15H,1-2,5-7,9-10H2
InChIKeyIIECALKZPSCJGN-UHFFFAOYSA-N
XLogP3.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1,2,3,4-tetrahydroquinolin-7-yloxymethyl)thiane 1,1-dioxide
CID 115075515
5-(thian-3-ylmethoxy)-2,3-dihydro-1H-indole
CID 115074629
5-(thian-4-ylmethoxy)-2,3-dihydro-1H-indole
CID 115074613
7-butoxy-1,2,3,4-tetrahydroquinoline
CID 107313953
7-[(1,4-dimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075481
6-[(1-methylpyrrolidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075329
6-[(4,4-dimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075304
4-(1,2,3,4-tetrahydroquinolin-7-yloxy)butan-1-ol
CID 107313916
7-pentoxy-1,2,3,4-tetrahydroquinoline
CID 107313970
4-(1,2,3,4-tetrahydroquinolin-6-yloxymethyl)thiane 1,1-dioxide
CID 115075338
7-(1-methylpyrrolidin-3-yl)oxy-1,2,3,4-tetrahydroquinoline
CID 115075407
7-[2-(3-methoxypropoxy)ethoxy]-1,2,3,4-tetrahydroquinoline
CID 107314042

Frequently Asked Questions

What is the IUPAC name of 7-(thiolan-3-ylmethoxy)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 7-(thiolan-3-ylmethoxy)-1,2,3,4-tetrahydroquinoline (CID 115075504) is 7-(thiolan-3-ylmethoxy)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 7-(thiolan-3-ylmethoxy)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 7-(thiolan-3-ylmethoxy)-1,2,3,4-tetrahydroquinoline is c1cc2c(cc1OCC1CCSC1)NCCC2.
What is the InChIKey of 7-(thiolan-3-ylmethoxy)-1,2,3,4-tetrahydroquinoline?
The InChIKey is IIECALKZPSCJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NOS/c1-2-12-3-4-13(8-14(12)15-6-1)16-9-11-5-7-17-10-11/h3-4,8,11,15H,1-2,5-7,9-10H2.
What are the key properties of 7-(thiolan-3-ylmethoxy)-1,2,3,4-tetrahydroquinoline?
7-(thiolan-3-ylmethoxy)-1,2,3,4-tetrahydroquinoline has a molecular weight of 249.38 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(thiolan-3-ylmethoxy)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 115075504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).