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

C6H10N2O3S — CID 67791451

IUPAC2-methylsulfonyl-5-propyl-1,3,4-oxadiazole
SMILESCCCc1nnc(S(C)(=O)=O)o1
InChIInChI=1S/C6H10N2O3S/c1-3-4-5-7-8-6(11-5)12(2,9)10/h3-4H2,1-2H3
InChIKeyRLHIZJMLAVBCTI-UHFFFAOYSA-N
MW190.22 g/mol
LogP0.43
Rot. Bonds3

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

2-methylsulfonyl-5-propyl-1,3,4-oxadiazole (PubChem CID 67791451) has the molecular formula C6H10N2O3S and a molecular weight of 190.22 g/mol. Its IUPAC name is 2-methylsulfonyl-5-propyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methylsulfonyl-5-propyl-1,3,4-oxadiazole
PubChem CID67791451
Molecular FormulaC6H10N2O3S
Molecular Weight190.22 g/mol
Exact Mass190.04
IUPAC Name2-methylsulfonyl-5-propyl-1,3,4-oxadiazole
SMILESCCCc1nnc(S(C)(=O)=O)o1
InChIInChI=1S/C6H10N2O3S/c1-3-4-5-7-8-6(11-5)12(2,9)10/h3-4H2,1-2H3
InChIKeyRLHIZJMLAVBCTI-UHFFFAOYSA-N
XLogP0.43
TPSA73.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.22
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-5-propyl-1,3,4-oxadiazole?
The IUPAC name of 2-methylsulfonyl-5-propyl-1,3,4-oxadiazole (CID 67791451) is 2-methylsulfonyl-5-propyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-methylsulfonyl-5-propyl-1,3,4-oxadiazole?
The canonical SMILES for 2-methylsulfonyl-5-propyl-1,3,4-oxadiazole is CCCc1nnc(S(C)(=O)=O)o1.
What is the InChIKey of 2-methylsulfonyl-5-propyl-1,3,4-oxadiazole?
The InChIKey is RLHIZJMLAVBCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O3S/c1-3-4-5-7-8-6(11-5)12(2,9)10/h3-4H2,1-2H3.
What are the key properties of 2-methylsulfonyl-5-propyl-1,3,4-oxadiazole?
2-methylsulfonyl-5-propyl-1,3,4-oxadiazole has a molecular weight of 190.22 g/mol, XLogP of 0.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-5-propyl-1,3,4-oxadiazole is sourced from PubChem (CID 67791451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).