5-(naphthalen-1-ylsulfanylmethyl)pyrrolidin-2-one

C15H15NOS — CID 20628515

IUPAC5-(naphthalen-1-ylsulfanylmethyl)pyrrolidin-2-one
SMILESO=C1CCC(CSc2cccc3ccccc23)N1
InChIInChI=1S/C15H15NOS/c17-15-9-8-12(16-15)10-18-14-7-3-5-11-4-1-2-6-13(11)14/h1-7,12H,8-10H2,(H,16,17)
InChIKeyADXRMHXUOXZTNF-UHFFFAOYSA-N
MW257.36 g/mol
LogP3.21
Rot. Bonds3

About 5-(naphthalen-1-ylsulfanylmethyl)pyrrolidin-2-one

5-(naphthalen-1-ylsulfanylmethyl)pyrrolidin-2-one (PubChem CID 20628515) has the molecular formula C15H15NOS and a molecular weight of 257.36 g/mol. Its IUPAC name is 5-(naphthalen-1-ylsulfanylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-(naphthalen-1-ylsulfanylmethyl)pyrrolidin-2-one
PubChem CID20628515
Molecular FormulaC15H15NOS
Molecular Weight257.36 g/mol
Exact Mass257.09
IUPAC Name5-(naphthalen-1-ylsulfanylmethyl)pyrrolidin-2-one
SMILESO=C1CCC(CSc2cccc3ccccc23)N1
InChIInChI=1S/C15H15NOS/c17-15-9-8-12(16-15)10-18-14-7-3-5-11-4-1-2-6-13(11)14/h1-7,12H,8-10H2,(H,16,17)
InChIKeyADXRMHXUOXZTNF-UHFFFAOYSA-N
XLogP3.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(naphthalen-1-ylsulfanylmethyl)pyrrolidin-2-one?
The IUPAC name of 5-(naphthalen-1-ylsulfanylmethyl)pyrrolidin-2-one (CID 20628515) is 5-(naphthalen-1-ylsulfanylmethyl)pyrrolidin-2-one.
What is the SMILES notation for 5-(naphthalen-1-ylsulfanylmethyl)pyrrolidin-2-one?
The canonical SMILES for 5-(naphthalen-1-ylsulfanylmethyl)pyrrolidin-2-one is O=C1CCC(CSc2cccc3ccccc23)N1.
What is the InChIKey of 5-(naphthalen-1-ylsulfanylmethyl)pyrrolidin-2-one?
The InChIKey is ADXRMHXUOXZTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NOS/c17-15-9-8-12(16-15)10-18-14-7-3-5-11-4-1-2-6-13(11)14/h1-7,12H,8-10H2,(H,16,17).
What are the key properties of 5-(naphthalen-1-ylsulfanylmethyl)pyrrolidin-2-one?
5-(naphthalen-1-ylsulfanylmethyl)pyrrolidin-2-one has a molecular weight of 257.36 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(naphthalen-1-ylsulfanylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 20628515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).