4-(6-methoxynaphthalen-2-yl)sulfonylmorpholine

C15H17NO4S — CID 775826

IUPAC4-(6-methoxynaphthalen-2-yl)sulfonylmorpholine
SMILESCOc1ccc2cc(S(=O)(=O)N3CCOCC3)ccc2c1
InChIInChI=1S/C15H17NO4S/c1-19-14-4-2-13-11-15(5-3-12(13)10-14)21(17,18)16-6-8-20-9-7-16/h2-5,10-11H,6-9H2,1H3
InChIKeyJHJANECTTGXRKJ-UHFFFAOYSA-N
MW307.37 g/mol
LogP1.87
Rot. Bonds3

About 4-(6-methoxynaphthalen-2-yl)sulfonylmorpholine

4-(6-methoxynaphthalen-2-yl)sulfonylmorpholine (PubChem CID 775826) has the molecular formula C15H17NO4S and a molecular weight of 307.37 g/mol. Its IUPAC name is 4-(6-methoxynaphthalen-2-yl)sulfonylmorpholine.

Molecular Properties

Compound Name4-(6-methoxynaphthalen-2-yl)sulfonylmorpholine
PubChem CID775826
Molecular FormulaC15H17NO4S
Molecular Weight307.37 g/mol
Exact Mass307.09
IUPAC Name4-(6-methoxynaphthalen-2-yl)sulfonylmorpholine
SMILESCOc1ccc2cc(S(=O)(=O)N3CCOCC3)ccc2c1
InChIInChI=1S/C15H17NO4S/c1-19-14-4-2-13-11-15(5-3-12(13)10-14)21(17,18)16-6-8-20-9-7-16/h2-5,10-11H,6-9H2,1H3
InChIKeyJHJANECTTGXRKJ-UHFFFAOYSA-N
XLogP1.87
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(6-methoxynaphthalen-2-yl)sulfonylmorpholine?
The IUPAC name of 4-(6-methoxynaphthalen-2-yl)sulfonylmorpholine (CID 775826) is 4-(6-methoxynaphthalen-2-yl)sulfonylmorpholine.
What is the SMILES notation for 4-(6-methoxynaphthalen-2-yl)sulfonylmorpholine?
The canonical SMILES for 4-(6-methoxynaphthalen-2-yl)sulfonylmorpholine is COc1ccc2cc(S(=O)(=O)N3CCOCC3)ccc2c1.
What is the InChIKey of 4-(6-methoxynaphthalen-2-yl)sulfonylmorpholine?
The InChIKey is JHJANECTTGXRKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4S/c1-19-14-4-2-13-11-15(5-3-12(13)10-14)21(17,18)16-6-8-20-9-7-16/h2-5,10-11H,6-9H2,1H3.
What are the key properties of 4-(6-methoxynaphthalen-2-yl)sulfonylmorpholine?
4-(6-methoxynaphthalen-2-yl)sulfonylmorpholine has a molecular weight of 307.37 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methoxynaphthalen-2-yl)sulfonylmorpholine is sourced from PubChem (CID 775826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).