4-(3,4-dihydronaphthalen-2-ylmethyl)-5H-1,2,3,5-oxathiadiazole 2-oxide

C12H12N2O2S — CID 14819346

IUPAC4-(3,4-dihydronaphthalen-2-ylmethyl)-5H-1,2,3,5-oxathiadiazole 2-oxide
SMILESO=S1N=C(CC2=Cc3ccccc3CC2)NO1
InChIInChI=1S/C12H12N2O2S/c15-17-14-12(13-16-17)8-9-5-6-10-3-1-2-4-11(10)7-9/h1-4,7H,5-6,8H2,(H,13,14)
InChIKeyWPAIORVTDLPEAT-UHFFFAOYSA-N
MW248.31 g/mol
LogP1.92
Rot. Bonds2

About 4-(3,4-dihydronaphthalen-2-ylmethyl)-5H-1,2,3,5-oxathiadiazole 2-oxide

4-(3,4-dihydronaphthalen-2-ylmethyl)-5H-1,2,3,5-oxathiadiazole 2-oxide (PubChem CID 14819346) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is 4-(3,4-dihydronaphthalen-2-ylmethyl)-5H-1,2,3,5-oxathiadiazole 2-oxide.

Molecular Properties

Compound Name4-(3,4-dihydronaphthalen-2-ylmethyl)-5H-1,2,3,5-oxathiadiazole 2-oxide
PubChem CID14819346
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC Name4-(3,4-dihydronaphthalen-2-ylmethyl)-5H-1,2,3,5-oxathiadiazole 2-oxide
SMILESO=S1N=C(CC2=Cc3ccccc3CC2)NO1
InChIInChI=1S/C12H12N2O2S/c15-17-14-12(13-16-17)8-9-5-6-10-3-1-2-4-11(10)7-9/h1-4,7H,5-6,8H2,(H,13,14)
InChIKeyWPAIORVTDLPEAT-UHFFFAOYSA-N
XLogP1.92
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydronaphthalen-2-ylmethyl)-5H-1,2,3,5-oxathiadiazole 2-oxide?
The IUPAC name of 4-(3,4-dihydronaphthalen-2-ylmethyl)-5H-1,2,3,5-oxathiadiazole 2-oxide (CID 14819346) is 4-(3,4-dihydronaphthalen-2-ylmethyl)-5H-1,2,3,5-oxathiadiazole 2-oxide.
What is the SMILES notation for 4-(3,4-dihydronaphthalen-2-ylmethyl)-5H-1,2,3,5-oxathiadiazole 2-oxide?
The canonical SMILES for 4-(3,4-dihydronaphthalen-2-ylmethyl)-5H-1,2,3,5-oxathiadiazole 2-oxide is O=S1N=C(CC2=Cc3ccccc3CC2)NO1.
What is the InChIKey of 4-(3,4-dihydronaphthalen-2-ylmethyl)-5H-1,2,3,5-oxathiadiazole 2-oxide?
The InChIKey is WPAIORVTDLPEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c15-17-14-12(13-16-17)8-9-5-6-10-3-1-2-4-11(10)7-9/h1-4,7H,5-6,8H2,(H,13,14).
What are the key properties of 4-(3,4-dihydronaphthalen-2-ylmethyl)-5H-1,2,3,5-oxathiadiazole 2-oxide?
4-(3,4-dihydronaphthalen-2-ylmethyl)-5H-1,2,3,5-oxathiadiazole 2-oxide has a molecular weight of 248.31 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydronaphthalen-2-ylmethyl)-5H-1,2,3,5-oxathiadiazole 2-oxide is sourced from PubChem (CID 14819346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).