1-(6-methoxynaphthalen-2-yl)sulfonylpyrrolidine

C15H17NO3S — CID 1085520

IUPAC1-(6-methoxynaphthalen-2-yl)sulfonylpyrrolidine
SMILESCOc1ccc2cc(S(=O)(=O)N3CCCC3)ccc2c1
InChIInChI=1S/C15H17NO3S/c1-19-14-6-4-13-11-15(7-5-12(13)10-14)20(17,18)16-8-2-3-9-16/h4-7,10-11H,2-3,8-9H2,1H3
InChIKeyZOXUKDHIXBDUCM-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.63
Rot. Bonds3

About 1-(6-methoxynaphthalen-2-yl)sulfonylpyrrolidine

1-(6-methoxynaphthalen-2-yl)sulfonylpyrrolidine (PubChem CID 1085520) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is 1-(6-methoxynaphthalen-2-yl)sulfonylpyrrolidine.

Molecular Properties

Compound Name1-(6-methoxynaphthalen-2-yl)sulfonylpyrrolidine
PubChem CID1085520
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC Name1-(6-methoxynaphthalen-2-yl)sulfonylpyrrolidine
SMILESCOc1ccc2cc(S(=O)(=O)N3CCCC3)ccc2c1
InChIInChI=1S/C15H17NO3S/c1-19-14-6-4-13-11-15(7-5-12(13)10-14)20(17,18)16-8-2-3-9-16/h4-7,10-11H,2-3,8-9H2,1H3
InChIKeyZOXUKDHIXBDUCM-UHFFFAOYSA-N
XLogP2.63
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxynaphthalen-2-yl)sulfonylpyrrolidine?
The IUPAC name of 1-(6-methoxynaphthalen-2-yl)sulfonylpyrrolidine (CID 1085520) is 1-(6-methoxynaphthalen-2-yl)sulfonylpyrrolidine.
What is the SMILES notation for 1-(6-methoxynaphthalen-2-yl)sulfonylpyrrolidine?
The canonical SMILES for 1-(6-methoxynaphthalen-2-yl)sulfonylpyrrolidine is COc1ccc2cc(S(=O)(=O)N3CCCC3)ccc2c1.
What is the InChIKey of 1-(6-methoxynaphthalen-2-yl)sulfonylpyrrolidine?
The InChIKey is ZOXUKDHIXBDUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-19-14-6-4-13-11-15(7-5-12(13)10-14)20(17,18)16-8-2-3-9-16/h4-7,10-11H,2-3,8-9H2,1H3.
What are the key properties of 1-(6-methoxynaphthalen-2-yl)sulfonylpyrrolidine?
1-(6-methoxynaphthalen-2-yl)sulfonylpyrrolidine has a molecular weight of 291.37 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxynaphthalen-2-yl)sulfonylpyrrolidine is sourced from PubChem (CID 1085520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).