4-[(6-methoxynaphthalen-2-yl)methyl]-5H-1,2,3,5-oxathiadiazole 2-oxide

C13H12N2O3S — CID 14696421

IUPAC4-[(6-methoxynaphthalen-2-yl)methyl]-5H-1,2,3,5-oxathiadiazole 2-oxide
SMILESCOc1ccc2cc(CC3=NS(=O)ON3)ccc2c1
InChIInChI=1S/C13H12N2O3S/c1-17-12-5-4-10-6-9(2-3-11(10)8-12)7-13-14-18-19(16)15-13/h2-6,8H,7H2,1H3,(H,14,15)
InChIKeyKPGGPIJGGNRTSY-UHFFFAOYSA-N
MW276.32 g/mol
LogP1.90
Rot. Bonds3

About 4-[(6-methoxynaphthalen-2-yl)methyl]-5H-1,2,3,5-oxathiadiazole 2-oxide

4-[(6-methoxynaphthalen-2-yl)methyl]-5H-1,2,3,5-oxathiadiazole 2-oxide (PubChem CID 14696421) has the molecular formula C13H12N2O3S and a molecular weight of 276.32 g/mol. Its IUPAC name is 4-[(6-methoxynaphthalen-2-yl)methyl]-5H-1,2,3,5-oxathiadiazole 2-oxide.

Molecular Properties

Compound Name4-[(6-methoxynaphthalen-2-yl)methyl]-5H-1,2,3,5-oxathiadiazole 2-oxide
PubChem CID14696421
Molecular FormulaC13H12N2O3S
Molecular Weight276.32 g/mol
Exact Mass276.06
IUPAC Name4-[(6-methoxynaphthalen-2-yl)methyl]-5H-1,2,3,5-oxathiadiazole 2-oxide
SMILESCOc1ccc2cc(CC3=NS(=O)ON3)ccc2c1
InChIInChI=1S/C13H12N2O3S/c1-17-12-5-4-10-6-9(2-3-11(10)8-12)7-13-14-18-19(16)15-13/h2-6,8H,7H2,1H3,(H,14,15)
InChIKeyKPGGPIJGGNRTSY-UHFFFAOYSA-N
XLogP1.90
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[4-(2-phenylethoxy)phenyl]methyl]-5H-1,2,3,5-oxathiadiazole 2-oxide
CID 14677831
4-[(4-phenylmethoxyphenyl)methyl]-5H-1,2,3,5-oxathiadiazole 2-oxide
CID 14677839
4-[(3-methoxynaphthalen-2-yl)methyl]-5H-1,2,3,5-oxathiadiazole 2-oxide
CID 14696394
4-[(4-chloro-1-methoxynaphthalen-2-yl)methyl]-5H-1,2,3,5-oxathiadiazole 2-oxide
CID 14696396
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-(2-methoxy-2-naphthalen-2-ylethyl)-5H-1,2,3,5-oxathiadiazole 2-oxide
CID 14699385
4-(naphthalen-2-yloxymethyl)-5H-1,2,3,5-oxathiadiazole 2-oxide
CID 14699387
4-[(8-bromo-5-methoxynaphthalen-2-yl)methyl]-5H-1,2,3,5-oxathiadiazole 2-oxide
CID 14696409
4-[(5-methoxynaphthalen-2-yl)methyl]-5H-1,2,3,5-oxathiadiazole 2-oxide
CID 14696418
4-[[3-[3-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoxy]phenyl]phenyl]methyl]-5H-1,2,3,5-oxathiadiazole 2-oxide
CID 58875444
4-[[3-[3-[3-[4-(trifluoromethyl)phenyl]prop-2-enoxy]phenyl]phenyl]methyl]-5H-1,2,3,5-oxathiadiazole 2-oxide
CID 69496285

Frequently Asked Questions

What is the IUPAC name of 4-[(6-methoxynaphthalen-2-yl)methyl]-5H-1,2,3,5-oxathiadiazole 2-oxide?
The IUPAC name of 4-[(6-methoxynaphthalen-2-yl)methyl]-5H-1,2,3,5-oxathiadiazole 2-oxide (CID 14696421) is 4-[(6-methoxynaphthalen-2-yl)methyl]-5H-1,2,3,5-oxathiadiazole 2-oxide.
What is the SMILES notation for 4-[(6-methoxynaphthalen-2-yl)methyl]-5H-1,2,3,5-oxathiadiazole 2-oxide?
The canonical SMILES for 4-[(6-methoxynaphthalen-2-yl)methyl]-5H-1,2,3,5-oxathiadiazole 2-oxide is COc1ccc2cc(CC3=NS(=O)ON3)ccc2c1.
What is the InChIKey of 4-[(6-methoxynaphthalen-2-yl)methyl]-5H-1,2,3,5-oxathiadiazole 2-oxide?
The InChIKey is KPGGPIJGGNRTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3S/c1-17-12-5-4-10-6-9(2-3-11(10)8-12)7-13-14-18-19(16)15-13/h2-6,8H,7H2,1H3,(H,14,15).
What are the key properties of 4-[(6-methoxynaphthalen-2-yl)methyl]-5H-1,2,3,5-oxathiadiazole 2-oxide?
4-[(6-methoxynaphthalen-2-yl)methyl]-5H-1,2,3,5-oxathiadiazole 2-oxide has a molecular weight of 276.32 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-methoxynaphthalen-2-yl)methyl]-5H-1,2,3,5-oxathiadiazole 2-oxide is sourced from PubChem (CID 14696421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).