2-methyl-5-methylsulfonyl-1,3,4-oxadiazole

C4H6N2O3S — CID 4739112

IUPAC2-methyl-5-methylsulfonyl-1,3,4-oxadiazole
SMILESCc1nnc(S(C)(=O)=O)o1
InChIInChI=1S/C4H6N2O3S/c1-3-5-6-4(9-3)10(2,7)8/h1-2H3
InChIKeySDEKPTRCZDOESK-UHFFFAOYSA-N
MW162.17 g/mol
LogP-0.22
Rot. Bonds1

About 2-methyl-5-methylsulfonyl-1,3,4-oxadiazole

2-methyl-5-methylsulfonyl-1,3,4-oxadiazole (PubChem CID 4739112) has the molecular formula C4H6N2O3S and a molecular weight of 162.17 g/mol. Its IUPAC name is 2-methyl-5-methylsulfonyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methyl-5-methylsulfonyl-1,3,4-oxadiazole
PubChem CID4739112
Molecular FormulaC4H6N2O3S
Molecular Weight162.17 g/mol
Exact Mass162.01
IUPAC Name2-methyl-5-methylsulfonyl-1,3,4-oxadiazole
SMILESCc1nnc(S(C)(=O)=O)o1
InChIInChI=1S/C4H6N2O3S/c1-3-5-6-4(9-3)10(2,7)8/h1-2H3
InChIKeySDEKPTRCZDOESK-UHFFFAOYSA-N
XLogP-0.22
TPSA73.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.17
LogP ≤ 5-0.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-methylsulfonyl-1,3,4-oxadiazole?
The IUPAC name of 2-methyl-5-methylsulfonyl-1,3,4-oxadiazole (CID 4739112) is 2-methyl-5-methylsulfonyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-methyl-5-methylsulfonyl-1,3,4-oxadiazole?
The canonical SMILES for 2-methyl-5-methylsulfonyl-1,3,4-oxadiazole is Cc1nnc(S(C)(=O)=O)o1.
What is the InChIKey of 2-methyl-5-methylsulfonyl-1,3,4-oxadiazole?
The InChIKey is SDEKPTRCZDOESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O3S/c1-3-5-6-4(9-3)10(2,7)8/h1-2H3.
What are the key properties of 2-methyl-5-methylsulfonyl-1,3,4-oxadiazole?
2-methyl-5-methylsulfonyl-1,3,4-oxadiazole has a molecular weight of 162.17 g/mol, XLogP of -0.22, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-methylsulfonyl-1,3,4-oxadiazole is sourced from PubChem (CID 4739112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).