2-methyl-5-naphthalen-2-ylthiomorpholine

C15H17NS — CID 66244540

IUPAC2-methyl-5-naphthalen-2-ylthiomorpholine
SMILESCC1CNC(c2ccc3ccccc3c2)CS1
InChIInChI=1S/C15H17NS/c1-11-9-16-15(10-17-11)14-7-6-12-4-2-3-5-13(12)8-14/h2-8,11,15-16H,9-10H2,1H3
InChIKeyYXXQQMBFMVUIKW-UHFFFAOYSA-N
MW243.38 g/mol
LogP3.61
Rot. Bonds1

About 2-methyl-5-naphthalen-2-ylthiomorpholine

2-methyl-5-naphthalen-2-ylthiomorpholine (PubChem CID 66244540) has the molecular formula C15H17NS and a molecular weight of 243.38 g/mol. Its IUPAC name is 2-methyl-5-naphthalen-2-ylthiomorpholine.

Molecular Properties

Compound Name2-methyl-5-naphthalen-2-ylthiomorpholine
PubChem CID66244540
Molecular FormulaC15H17NS
Molecular Weight243.38 g/mol
Exact Mass243.11
IUPAC Name2-methyl-5-naphthalen-2-ylthiomorpholine
SMILESCC1CNC(c2ccc3ccccc3c2)CS1
InChIInChI=1S/C15H17NS/c1-11-9-16-15(10-17-11)14-7-6-12-4-2-3-5-13(12)8-14/h2-8,11,15-16H,9-10H2,1H3
InChIKeyYXXQQMBFMVUIKW-UHFFFAOYSA-N
XLogP3.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-naphthalen-2-ylthiomorpholine?
The IUPAC name of 2-methyl-5-naphthalen-2-ylthiomorpholine (CID 66244540) is 2-methyl-5-naphthalen-2-ylthiomorpholine.
What is the SMILES notation for 2-methyl-5-naphthalen-2-ylthiomorpholine?
The canonical SMILES for 2-methyl-5-naphthalen-2-ylthiomorpholine is CC1CNC(c2ccc3ccccc3c2)CS1.
What is the InChIKey of 2-methyl-5-naphthalen-2-ylthiomorpholine?
The InChIKey is YXXQQMBFMVUIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NS/c1-11-9-16-15(10-17-11)14-7-6-12-4-2-3-5-13(12)8-14/h2-8,11,15-16H,9-10H2,1H3.
What are the key properties of 2-methyl-5-naphthalen-2-ylthiomorpholine?
2-methyl-5-naphthalen-2-ylthiomorpholine has a molecular weight of 243.38 g/mol, XLogP of 3.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-naphthalen-2-ylthiomorpholine is sourced from PubChem (CID 66244540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).