4-(naphthalen-2-ylmethyl)thiomorpholine

C15H17NS — CID 2177388

IUPAC4-(naphthalen-2-ylmethyl)thiomorpholine
SMILESc1ccc2cc(CN3CCSCC3)ccc2c1
InChIInChI=1S/C15H17NS/c1-2-4-15-11-13(5-6-14(15)3-1)12-16-7-9-17-10-8-16/h1-6,11H,7-10,12H2
InChIKeyYKUCZWQSDBHQOJ-UHFFFAOYSA-N
MW243.38 g/mol
LogP3.39
Rot. Bonds2

About 4-(naphthalen-2-ylmethyl)thiomorpholine

4-(naphthalen-2-ylmethyl)thiomorpholine (PubChem CID 2177388) has the molecular formula C15H17NS and a molecular weight of 243.38 g/mol. Its IUPAC name is 4-(naphthalen-2-ylmethyl)thiomorpholine.

Molecular Properties

Compound Name4-(naphthalen-2-ylmethyl)thiomorpholine
PubChem CID2177388
Molecular FormulaC15H17NS
Molecular Weight243.38 g/mol
Exact Mass243.11
IUPAC Name4-(naphthalen-2-ylmethyl)thiomorpholine
SMILESc1ccc2cc(CN3CCSCC3)ccc2c1
InChIInChI=1S/C15H17NS/c1-2-4-15-11-13(5-6-14(15)3-1)12-16-7-9-17-10-8-16/h1-6,11H,7-10,12H2
InChIKeyYKUCZWQSDBHQOJ-UHFFFAOYSA-N
XLogP3.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(naphthalen-2-ylmethyl)thiomorpholine?
The IUPAC name of 4-(naphthalen-2-ylmethyl)thiomorpholine (CID 2177388) is 4-(naphthalen-2-ylmethyl)thiomorpholine.
What is the SMILES notation for 4-(naphthalen-2-ylmethyl)thiomorpholine?
The canonical SMILES for 4-(naphthalen-2-ylmethyl)thiomorpholine is c1ccc2cc(CN3CCSCC3)ccc2c1.
What is the InChIKey of 4-(naphthalen-2-ylmethyl)thiomorpholine?
The InChIKey is YKUCZWQSDBHQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NS/c1-2-4-15-11-13(5-6-14(15)3-1)12-16-7-9-17-10-8-16/h1-6,11H,7-10,12H2.
What are the key properties of 4-(naphthalen-2-ylmethyl)thiomorpholine?
4-(naphthalen-2-ylmethyl)thiomorpholine has a molecular weight of 243.38 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(naphthalen-2-ylmethyl)thiomorpholine is sourced from PubChem (CID 2177388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).