2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanylmethyl)morpholine

C15H21NOS — CID 117034371

IUPAC2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanylmethyl)morpholine
SMILESc1cc2c(cc1SCC1CNCCO1)CCCC2
InChIInChI=1S/C15H21NOS/c1-2-4-13-9-15(6-5-12(13)3-1)18-11-14-10-16-7-8-17-14/h5-6,9,14,16H,1-4,7-8,10-11H2
InChIKeyWIRYIZFIVXSOLJ-UHFFFAOYSA-N
MW263.41 g/mol
LogP2.65
Rot. Bonds3

About 2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanylmethyl)morpholine

2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanylmethyl)morpholine (PubChem CID 117034371) has the molecular formula C15H21NOS and a molecular weight of 263.41 g/mol. Its IUPAC name is 2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanylmethyl)morpholine.

Molecular Properties

Compound Name2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanylmethyl)morpholine
PubChem CID117034371
Molecular FormulaC15H21NOS
Molecular Weight263.41 g/mol
Exact Mass263.13
IUPAC Name2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanylmethyl)morpholine
SMILESc1cc2c(cc1SCC1CNCCO1)CCCC2
InChIInChI=1S/C15H21NOS/c1-2-4-13-9-15(6-5-12(13)3-1)18-11-14-10-16-7-8-17-14/h5-6,9,14,16H,1-4,7-8,10-11H2
InChIKeyWIRYIZFIVXSOLJ-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanylmethyl)morpholine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanylmethyl)morpholine?
The IUPAC name of 2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanylmethyl)morpholine (CID 117034371) is 2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanylmethyl)morpholine.
What is the SMILES notation for 2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanylmethyl)morpholine?
The canonical SMILES for 2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanylmethyl)morpholine is c1cc2c(cc1SCC1CNCCO1)CCCC2.
What is the InChIKey of 2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanylmethyl)morpholine?
The InChIKey is WIRYIZFIVXSOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NOS/c1-2-4-13-9-15(6-5-12(13)3-1)18-11-14-10-16-7-8-17-14/h5-6,9,14,16H,1-4,7-8,10-11H2.
What are the key properties of 2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanylmethyl)morpholine?
2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanylmethyl)morpholine has a molecular weight of 263.41 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanylmethyl)morpholine is sourced from PubChem (CID 117034371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).