4-(2-methoxy-2-naphthalen-2-ylethyl)-5H-1,2,3,5-oxathiadiazole 2-oxide

C14H14N2O3S — CID 14699385

IUPAC4-(2-methoxy-2-naphthalen-2-ylethyl)-5H-1,2,3,5-oxathiadiazole 2-oxide
SMILESCOC(CC1=NS(=O)ON1)c1ccc2ccccc2c1
InChIInChI=1S/C14H14N2O3S/c1-18-13(9-14-15-19-20(17)16-14)12-7-6-10-4-2-3-5-11(10)8-12/h2-8,13H,9H2,1H3,(H,15,16)
InChIKeyPVZPSOYSNGDQGX-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.43
Rot. Bonds4

About 4-(2-methoxy-2-naphthalen-2-ylethyl)-5H-1,2,3,5-oxathiadiazole 2-oxide

4-(2-methoxy-2-naphthalen-2-ylethyl)-5H-1,2,3,5-oxathiadiazole 2-oxide (PubChem CID 14699385) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is 4-(2-methoxy-2-naphthalen-2-ylethyl)-5H-1,2,3,5-oxathiadiazole 2-oxide.

Molecular Properties

Compound Name4-(2-methoxy-2-naphthalen-2-ylethyl)-5H-1,2,3,5-oxathiadiazole 2-oxide
PubChem CID14699385
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Name4-(2-methoxy-2-naphthalen-2-ylethyl)-5H-1,2,3,5-oxathiadiazole 2-oxide
SMILESCOC(CC1=NS(=O)ON1)c1ccc2ccccc2c1
InChIInChI=1S/C14H14N2O3S/c1-18-13(9-14-15-19-20(17)16-14)12-7-6-10-4-2-3-5-11(10)8-12/h2-8,13H,9H2,1H3,(H,15,16)
InChIKeyPVZPSOYSNGDQGX-UHFFFAOYSA-N
XLogP2.43
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-methoxynaphthalen-2-yl)methyl]-5H-1,2,3,5-oxathiadiazole 2-oxide
CID 14696394
4-[(1-methoxynaphthalen-2-yl)methyl]-5H-1,2,3,5-oxathiadiazole 2-oxide
CID 14696397
4-[(7-methoxynaphthalen-2-yl)methyl]-5H-1,2,3,5-oxathiadiazole 2-oxide
CID 14696410
4-[(5-methoxynaphthalen-2-yl)methyl]-5H-1,2,3,5-oxathiadiazole 2-oxide
CID 14696418
4-[(6-methoxynaphthalen-2-yl)methyl]-5H-1,2,3,5-oxathiadiazole 2-oxide
CID 14696421
4-(2-methoxy-2-naphthalen-2-ylethyl)-3H-1,2,3,5-oxathiadiazole
CID 57037677
4-[(7-methoxynaphthalen-1-yl)methyl]-5H-1,2,3,5-oxathiadiazole 2-oxide
CID 102434728
4-[(2R)-2-methoxy-2-naphthalen-2-ylethyl]-5H-1,2,3,5-oxathiadiazole 2-oxide
CID 124300231
4-[(2S)-2-methoxy-2-naphthalen-2-ylethyl]-5H-1,2,3,5-oxathiadiazole 2-oxide
CID 124353147

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-2-naphthalen-2-ylethyl)-5H-1,2,3,5-oxathiadiazole 2-oxide?
The IUPAC name of 4-(2-methoxy-2-naphthalen-2-ylethyl)-5H-1,2,3,5-oxathiadiazole 2-oxide (CID 14699385) is 4-(2-methoxy-2-naphthalen-2-ylethyl)-5H-1,2,3,5-oxathiadiazole 2-oxide.
What is the SMILES notation for 4-(2-methoxy-2-naphthalen-2-ylethyl)-5H-1,2,3,5-oxathiadiazole 2-oxide?
The canonical SMILES for 4-(2-methoxy-2-naphthalen-2-ylethyl)-5H-1,2,3,5-oxathiadiazole 2-oxide is COC(CC1=NS(=O)ON1)c1ccc2ccccc2c1.
What is the InChIKey of 4-(2-methoxy-2-naphthalen-2-ylethyl)-5H-1,2,3,5-oxathiadiazole 2-oxide?
The InChIKey is PVZPSOYSNGDQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-18-13(9-14-15-19-20(17)16-14)12-7-6-10-4-2-3-5-11(10)8-12/h2-8,13H,9H2,1H3,(H,15,16).
What are the key properties of 4-(2-methoxy-2-naphthalen-2-ylethyl)-5H-1,2,3,5-oxathiadiazole 2-oxide?
4-(2-methoxy-2-naphthalen-2-ylethyl)-5H-1,2,3,5-oxathiadiazole 2-oxide has a molecular weight of 290.34 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-2-naphthalen-2-ylethyl)-5H-1,2,3,5-oxathiadiazole 2-oxide is sourced from PubChem (CID 14699385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).