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

C6H12N2O3S — CID 144985611

IUPACethane;2-methyl-5-methylsulfonyl-1,3,4-oxadiazole
SMILESCC.Cc1nnc(S(C)(=O)=O)o1
InChIInChI=1S/C4H6N2O3S.C2H6/c1-3-5-6-4(9-3)10(2,7)8;1-2/h1-2H3;1-2H3
InChIKeyFTNIWTHIZQFTNH-UHFFFAOYSA-N
MW192.24 g/mol
LogP0.81
Rot. Bonds1

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

ethane;2-methyl-5-methylsulfonyl-1,3,4-oxadiazole (PubChem CID 144985611) has the molecular formula C6H12N2O3S and a molecular weight of 192.24 g/mol. Its IUPAC name is ethane;2-methyl-5-methylsulfonyl-1,3,4-oxadiazole.

Molecular Properties

Compound Nameethane;2-methyl-5-methylsulfonyl-1,3,4-oxadiazole
PubChem CID144985611
Molecular FormulaC6H12N2O3S
Molecular Weight192.24 g/mol
Exact Mass192.06
IUPAC Nameethane;2-methyl-5-methylsulfonyl-1,3,4-oxadiazole
SMILESCC.Cc1nnc(S(C)(=O)=O)o1
InChIInChI=1S/C4H6N2O3S.C2H6/c1-3-5-6-4(9-3)10(2,7)8;1-2/h1-2H3;1-2H3
InChIKeyFTNIWTHIZQFTNH-UHFFFAOYSA-N
XLogP0.81
TPSA73.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-5-methylsulfonyl-1,3,4-oxadiazole?
The IUPAC name of ethane;2-methyl-5-methylsulfonyl-1,3,4-oxadiazole (CID 144985611) is ethane;2-methyl-5-methylsulfonyl-1,3,4-oxadiazole.
What is the SMILES notation for ethane;2-methyl-5-methylsulfonyl-1,3,4-oxadiazole?
The canonical SMILES for ethane;2-methyl-5-methylsulfonyl-1,3,4-oxadiazole is CC.Cc1nnc(S(C)(=O)=O)o1.
What is the InChIKey of ethane;2-methyl-5-methylsulfonyl-1,3,4-oxadiazole?
The InChIKey is FTNIWTHIZQFTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O3S.C2H6/c1-3-5-6-4(9-3)10(2,7)8;1-2/h1-2H3;1-2H3.
What are the key properties of ethane;2-methyl-5-methylsulfonyl-1,3,4-oxadiazole?
ethane;2-methyl-5-methylsulfonyl-1,3,4-oxadiazole has a molecular weight of 192.24 g/mol, XLogP of 0.81, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-5-methylsulfonyl-1,3,4-oxadiazole is sourced from PubChem (CID 144985611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).