1-naphthalen-2-ylsulfonylpyrrolidine

C14H15NO2S — CID 819722

IUPAC1-naphthalen-2-ylsulfonylpyrrolidine
SMILESO=S(=O)(c1ccc2ccccc2c1)N1CCCC1
InChIInChI=1S/C14H15NO2S/c16-18(17,15-9-3-4-10-15)14-8-7-12-5-1-2-6-13(12)11-14/h1-2,5-8,11H,3-4,9-10H2
InChIKeyQVAQDBIMJPJMDG-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.62
Rot. Bonds2

About 1-naphthalen-2-ylsulfonylpyrrolidine

1-naphthalen-2-ylsulfonylpyrrolidine (PubChem CID 819722) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is 1-naphthalen-2-ylsulfonylpyrrolidine.

Molecular Properties

Compound Name1-naphthalen-2-ylsulfonylpyrrolidine
PubChem CID819722
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Name1-naphthalen-2-ylsulfonylpyrrolidine
SMILESO=S(=O)(c1ccc2ccccc2c1)N1CCCC1
InChIInChI=1S/C14H15NO2S/c16-18(17,15-9-3-4-10-15)14-8-7-12-5-1-2-6-13(12)11-14/h1-2,5-8,11H,3-4,9-10H2
InChIKeyQVAQDBIMJPJMDG-UHFFFAOYSA-N
XLogP2.62
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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[(3R)-1-naphthalen-2-ylsulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone
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1-[(2,6-dichlorophenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine
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Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-ylsulfonylpyrrolidine?
The IUPAC name of 1-naphthalen-2-ylsulfonylpyrrolidine (CID 819722) is 1-naphthalen-2-ylsulfonylpyrrolidine.
What is the SMILES notation for 1-naphthalen-2-ylsulfonylpyrrolidine?
The canonical SMILES for 1-naphthalen-2-ylsulfonylpyrrolidine is O=S(=O)(c1ccc2ccccc2c1)N1CCCC1.
What is the InChIKey of 1-naphthalen-2-ylsulfonylpyrrolidine?
The InChIKey is QVAQDBIMJPJMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c16-18(17,15-9-3-4-10-15)14-8-7-12-5-1-2-6-13(12)11-14/h1-2,5-8,11H,3-4,9-10H2.
What are the key properties of 1-naphthalen-2-ylsulfonylpyrrolidine?
1-naphthalen-2-ylsulfonylpyrrolidine has a molecular weight of 261.35 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-ylsulfonylpyrrolidine is sourced from PubChem (CID 819722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).