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

C16H19NO4S — CID 786092

IUPAC4-(6-ethoxynaphthalen-2-yl)sulfonylmorpholine
SMILESCCOc1ccc2cc(S(=O)(=O)N3CCOCC3)ccc2c1
InChIInChI=1S/C16H19NO4S/c1-2-21-15-5-3-14-12-16(6-4-13(14)11-15)22(18,19)17-7-9-20-10-8-17/h3-6,11-12H,2,7-10H2,1H3
InChIKeyXFCXJNALGRMUHK-UHFFFAOYSA-N
MW321.40 g/mol
LogP2.26
Rot. Bonds4

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

4-(6-ethoxynaphthalen-2-yl)sulfonylmorpholine (PubChem CID 786092) has the molecular formula C16H19NO4S and a molecular weight of 321.40 g/mol. Its IUPAC name is 4-(6-ethoxynaphthalen-2-yl)sulfonylmorpholine.

Molecular Properties

Compound Name4-(6-ethoxynaphthalen-2-yl)sulfonylmorpholine
PubChem CID786092
Molecular FormulaC16H19NO4S
Molecular Weight321.40 g/mol
Exact Mass321.10
IUPAC Name4-(6-ethoxynaphthalen-2-yl)sulfonylmorpholine
SMILESCCOc1ccc2cc(S(=O)(=O)N3CCOCC3)ccc2c1
InChIInChI=1S/C16H19NO4S/c1-2-21-15-5-3-14-12-16(6-4-13(14)11-15)22(18,19)17-7-9-20-10-8-17/h3-6,11-12H,2,7-10H2,1H3
InChIKeyXFCXJNALGRMUHK-UHFFFAOYSA-N
XLogP2.26
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(6-ethoxynaphthalen-2-yl)sulfonylmorpholine?
The IUPAC name of 4-(6-ethoxynaphthalen-2-yl)sulfonylmorpholine (CID 786092) is 4-(6-ethoxynaphthalen-2-yl)sulfonylmorpholine.
What is the SMILES notation for 4-(6-ethoxynaphthalen-2-yl)sulfonylmorpholine?
The canonical SMILES for 4-(6-ethoxynaphthalen-2-yl)sulfonylmorpholine is CCOc1ccc2cc(S(=O)(=O)N3CCOCC3)ccc2c1.
What is the InChIKey of 4-(6-ethoxynaphthalen-2-yl)sulfonylmorpholine?
The InChIKey is XFCXJNALGRMUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4S/c1-2-21-15-5-3-14-12-16(6-4-13(14)11-15)22(18,19)17-7-9-20-10-8-17/h3-6,11-12H,2,7-10H2,1H3.
What are the key properties of 4-(6-ethoxynaphthalen-2-yl)sulfonylmorpholine?
4-(6-ethoxynaphthalen-2-yl)sulfonylmorpholine has a molecular weight of 321.40 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-ethoxynaphthalen-2-yl)sulfonylmorpholine is sourced from PubChem (CID 786092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).