2-methylsulfonyl-5-propan-2-yl-1,3,4-oxadiazole

C6H10N2O3S — CID 54510797

IUPAC2-methylsulfonyl-5-propan-2-yl-1,3,4-oxadiazole
SMILESCC(C)c1nnc(S(C)(=O)=O)o1
InChIInChI=1S/C6H10N2O3S/c1-4(2)5-7-8-6(11-5)12(3,9)10/h4H,1-3H3
InChIKeyYIZAFWOHJOFDES-UHFFFAOYSA-N
MW190.22 g/mol
LogP0.60
Rot. Bonds2

About 2-methylsulfonyl-5-propan-2-yl-1,3,4-oxadiazole

2-methylsulfonyl-5-propan-2-yl-1,3,4-oxadiazole (PubChem CID 54510797) has the molecular formula C6H10N2O3S and a molecular weight of 190.22 g/mol. Its IUPAC name is 2-methylsulfonyl-5-propan-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methylsulfonyl-5-propan-2-yl-1,3,4-oxadiazole
PubChem CID54510797
Molecular FormulaC6H10N2O3S
Molecular Weight190.22 g/mol
Exact Mass190.04
IUPAC Name2-methylsulfonyl-5-propan-2-yl-1,3,4-oxadiazole
SMILESCC(C)c1nnc(S(C)(=O)=O)o1
InChIInChI=1S/C6H10N2O3S/c1-4(2)5-7-8-6(11-5)12(3,9)10/h4H,1-3H3
InChIKeyYIZAFWOHJOFDES-UHFFFAOYSA-N
XLogP0.60
TPSA73.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.22
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-5-propan-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-methylsulfonyl-5-propan-2-yl-1,3,4-oxadiazole (CID 54510797) is 2-methylsulfonyl-5-propan-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-methylsulfonyl-5-propan-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-methylsulfonyl-5-propan-2-yl-1,3,4-oxadiazole is CC(C)c1nnc(S(C)(=O)=O)o1.
What is the InChIKey of 2-methylsulfonyl-5-propan-2-yl-1,3,4-oxadiazole?
The InChIKey is YIZAFWOHJOFDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O3S/c1-4(2)5-7-8-6(11-5)12(3,9)10/h4H,1-3H3.
What are the key properties of 2-methylsulfonyl-5-propan-2-yl-1,3,4-oxadiazole?
2-methylsulfonyl-5-propan-2-yl-1,3,4-oxadiazole has a molecular weight of 190.22 g/mol, XLogP of 0.60, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-5-propan-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 54510797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).