4-methyl-2-naphthalen-2-ylthiomorpholine

C15H17NS — CID 155569399

IUPAC4-methyl-2-naphthalen-2-ylthiomorpholine
SMILESCN1CCSC(c2ccc3ccccc3c2)C1
InChIInChI=1S/C15H17NS/c1-16-8-9-17-15(11-16)14-7-6-12-4-2-3-5-13(12)10-14/h2-7,10,15H,8-9,11H2,1H3
InChIKeyJQPWZAKCINSUDC-UHFFFAOYSA-N
MW243.38 g/mol
LogP3.56
Rot. Bonds1

About 4-methyl-2-naphthalen-2-ylthiomorpholine

4-methyl-2-naphthalen-2-ylthiomorpholine (PubChem CID 155569399) has the molecular formula C15H17NS and a molecular weight of 243.38 g/mol. Its IUPAC name is 4-methyl-2-naphthalen-2-ylthiomorpholine.

Molecular Properties

Compound Name4-methyl-2-naphthalen-2-ylthiomorpholine
PubChem CID155569399
Molecular FormulaC15H17NS
Molecular Weight243.38 g/mol
Exact Mass243.11
IUPAC Name4-methyl-2-naphthalen-2-ylthiomorpholine
SMILESCN1CCSC(c2ccc3ccccc3c2)C1
InChIInChI=1S/C15H17NS/c1-16-8-9-17-15(11-16)14-7-6-12-4-2-3-5-13(12)10-14/h2-7,10,15H,8-9,11H2,1H3
InChIKeyJQPWZAKCINSUDC-UHFFFAOYSA-N
XLogP3.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-methyl-2-naphthalen-2-ylthiomorpholine 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 4-methyl-2-naphthalen-2-ylthiomorpholine?
The IUPAC name of 4-methyl-2-naphthalen-2-ylthiomorpholine (CID 155569399) is 4-methyl-2-naphthalen-2-ylthiomorpholine.
What is the SMILES notation for 4-methyl-2-naphthalen-2-ylthiomorpholine?
The canonical SMILES for 4-methyl-2-naphthalen-2-ylthiomorpholine is CN1CCSC(c2ccc3ccccc3c2)C1.
What is the InChIKey of 4-methyl-2-naphthalen-2-ylthiomorpholine?
The InChIKey is JQPWZAKCINSUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NS/c1-16-8-9-17-15(11-16)14-7-6-12-4-2-3-5-13(12)10-14/h2-7,10,15H,8-9,11H2,1H3.
What are the key properties of 4-methyl-2-naphthalen-2-ylthiomorpholine?
4-methyl-2-naphthalen-2-ylthiomorpholine has a molecular weight of 243.38 g/mol, XLogP of 3.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-naphthalen-2-ylthiomorpholine is sourced from PubChem (CID 155569399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).