8-(thian-2-ylmethoxy)-1,2,3,4-tetrahydroisoquinoline

C15H21NOS — CID 115076723

IUPAC8-(thian-2-ylmethoxy)-1,2,3,4-tetrahydroisoquinoline
SMILESc1cc2c(c(OCC3CCCCS3)c1)CNCC2
InChIInChI=1S/C15H21NOS/c1-2-9-18-13(5-1)11-17-15-6-3-4-12-7-8-16-10-14(12)15/h3-4,6,13,16H,1-2,5,7-11H2
InChIKeySRGNXHDFSNCRHA-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.00
Rot. Bonds3

About 8-(thian-2-ylmethoxy)-1,2,3,4-tetrahydroisoquinoline

8-(thian-2-ylmethoxy)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 115076723) has the molecular formula C15H21NOS and a molecular weight of 263.41 g/mol. Its IUPAC name is 8-(thian-2-ylmethoxy)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name8-(thian-2-ylmethoxy)-1,2,3,4-tetrahydroisoquinoline
PubChem CID115076723
Molecular FormulaC15H21NOS
Molecular Weight263.41 g/mol
Exact Mass263.13
IUPAC Name8-(thian-2-ylmethoxy)-1,2,3,4-tetrahydroisoquinoline
SMILESc1cc2c(c(OCC3CCCCS3)c1)CNCC2
InChIInChI=1S/C15H21NOS/c1-2-9-18-13(5-1)11-17-15-6-3-4-12-7-8-16-10-14(12)15/h3-4,6,13,16H,1-2,5,7-11H2
InChIKeySRGNXHDFSNCRHA-UHFFFAOYSA-N
XLogP3.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-(thian-2-ylmethoxy)-1,2,3,4-tetrahydroisoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(thiolan-2-ylmethoxy)-1,2,3,4-tetrahydroisoquinoline
CID 115076151
8-(cyclobutylmethoxy)-1,2,3,4-tetrahydroisoquinoline
CID 115076665
8-(thian-3-ylmethoxy)-1,2,3,4-tetrahydroisoquinoline
CID 115076813
8-(thiolan-3-ylmethoxy)-1,2,3,4-tetrahydroisoquinoline
CID 115076783
8-(oxan-4-ylmethoxy)-1,2,3,4-tetrahydroisoquinoline
CID 115076793
8-[(1-methylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076740
8-[(3,3-dimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076763
4-(thian-4-ylmethoxy)-2,3-dihydro-1H-isoindole
CID 115075868
8-[(3-methylthiolan-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076784
2-(1,2,3,4-tetrahydroisoquinolin-5-yloxymethyl)thiane 1,1-dioxide
CID 115076162
4-(azetidin-3-ylmethoxy)-2,3-dihydro-1H-isoindole
CID 115075810
8-(oxan-4-yloxy)-1,2,3,4-tetrahydroisoquinoline
CID 115076691

Frequently Asked Questions

What is the IUPAC name of 8-(thian-2-ylmethoxy)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 8-(thian-2-ylmethoxy)-1,2,3,4-tetrahydroisoquinoline (CID 115076723) is 8-(thian-2-ylmethoxy)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 8-(thian-2-ylmethoxy)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 8-(thian-2-ylmethoxy)-1,2,3,4-tetrahydroisoquinoline is c1cc2c(c(OCC3CCCCS3)c1)CNCC2.
What is the InChIKey of 8-(thian-2-ylmethoxy)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is SRGNXHDFSNCRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NOS/c1-2-9-18-13(5-1)11-17-15-6-3-4-12-7-8-16-10-14(12)15/h3-4,6,13,16H,1-2,5,7-11H2.
What are the key properties of 8-(thian-2-ylmethoxy)-1,2,3,4-tetrahydroisoquinoline?
8-(thian-2-ylmethoxy)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 263.41 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(thian-2-ylmethoxy)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 115076723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).