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

C7H14N2O3S — CID 166101299

IUPACethane;2-ethyl-5-methylsulfonyl-1,3,4-oxadiazole
SMILESCC.CCc1nnc(S(C)(=O)=O)o1
InChIInChI=1S/C5H8N2O3S.C2H6/c1-3-4-6-7-5(10-4)11(2,8)9;1-2/h3H2,1-2H3;1-2H3
InChIKeyDJBVXDPTWFNUMO-UHFFFAOYSA-N
MW206.27 g/mol
LogP1.06
Rot. Bonds2

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

ethane;2-ethyl-5-methylsulfonyl-1,3,4-oxadiazole (PubChem CID 166101299) has the molecular formula C7H14N2O3S and a molecular weight of 206.27 g/mol. Its IUPAC name is ethane;2-ethyl-5-methylsulfonyl-1,3,4-oxadiazole.

Molecular Properties

Compound Nameethane;2-ethyl-5-methylsulfonyl-1,3,4-oxadiazole
PubChem CID166101299
Molecular FormulaC7H14N2O3S
Molecular Weight206.27 g/mol
Exact Mass206.07
IUPAC Nameethane;2-ethyl-5-methylsulfonyl-1,3,4-oxadiazole
SMILESCC.CCc1nnc(S(C)(=O)=O)o1
InChIInChI=1S/C5H8N2O3S.C2H6/c1-3-4-6-7-5(10-4)11(2,8)9;1-2/h3H2,1-2H3;1-2H3
InChIKeyDJBVXDPTWFNUMO-UHFFFAOYSA-N
XLogP1.06
TPSA73.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethane;2-ethyl-5-methylsulfonyl-1,3,4-oxadiazole?
The IUPAC name of ethane;2-ethyl-5-methylsulfonyl-1,3,4-oxadiazole (CID 166101299) is ethane;2-ethyl-5-methylsulfonyl-1,3,4-oxadiazole.
What is the SMILES notation for ethane;2-ethyl-5-methylsulfonyl-1,3,4-oxadiazole?
The canonical SMILES for ethane;2-ethyl-5-methylsulfonyl-1,3,4-oxadiazole is CC.CCc1nnc(S(C)(=O)=O)o1.
What is the InChIKey of ethane;2-ethyl-5-methylsulfonyl-1,3,4-oxadiazole?
The InChIKey is DJBVXDPTWFNUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O3S.C2H6/c1-3-4-6-7-5(10-4)11(2,8)9;1-2/h3H2,1-2H3;1-2H3.
What are the key properties of ethane;2-ethyl-5-methylsulfonyl-1,3,4-oxadiazole?
ethane;2-ethyl-5-methylsulfonyl-1,3,4-oxadiazole has a molecular weight of 206.27 g/mol, XLogP of 1.06, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethyl-5-methylsulfonyl-1,3,4-oxadiazole is sourced from PubChem (CID 166101299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).