3-methyl-5-propylsulfonyl-1,2,4-thiadiazole

C6H10N2O2S2 — CID 163493782

IUPAC3-methyl-5-propylsulfonyl-1,2,4-thiadiazole
SMILESCCCS(=O)(=O)c1nc(C)ns1
InChIInChI=1S/C6H10N2O2S2/c1-3-4-12(9,10)6-7-5(2)8-11-6/h3-4H2,1-2H3
InChIKeyUDQOQTXEFSLPPI-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.03
Rot. Bonds3

About 3-methyl-5-propylsulfonyl-1,2,4-thiadiazole

3-methyl-5-propylsulfonyl-1,2,4-thiadiazole (PubChem CID 163493782) has the molecular formula C6H10N2O2S2 and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-methyl-5-propylsulfonyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-methyl-5-propylsulfonyl-1,2,4-thiadiazole
PubChem CID163493782
Molecular FormulaC6H10N2O2S2
Molecular Weight206.29 g/mol
Exact Mass206.02
IUPAC Name3-methyl-5-propylsulfonyl-1,2,4-thiadiazole
SMILESCCCS(=O)(=O)c1nc(C)ns1
InChIInChI=1S/C6H10N2O2S2/c1-3-4-12(9,10)6-7-5(2)8-11-6/h3-4H2,1-2H3
InChIKeyUDQOQTXEFSLPPI-UHFFFAOYSA-N
XLogP1.03
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-propylsulfonyl-1,2,4-thiadiazole?
The IUPAC name of 3-methyl-5-propylsulfonyl-1,2,4-thiadiazole (CID 163493782) is 3-methyl-5-propylsulfonyl-1,2,4-thiadiazole.
What is the SMILES notation for 3-methyl-5-propylsulfonyl-1,2,4-thiadiazole?
The canonical SMILES for 3-methyl-5-propylsulfonyl-1,2,4-thiadiazole is CCCS(=O)(=O)c1nc(C)ns1.
What is the InChIKey of 3-methyl-5-propylsulfonyl-1,2,4-thiadiazole?
The InChIKey is UDQOQTXEFSLPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2S2/c1-3-4-12(9,10)6-7-5(2)8-11-6/h3-4H2,1-2H3.
What are the key properties of 3-methyl-5-propylsulfonyl-1,2,4-thiadiazole?
3-methyl-5-propylsulfonyl-1,2,4-thiadiazole has a molecular weight of 206.29 g/mol, XLogP of 1.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-propylsulfonyl-1,2,4-thiadiazole is sourced from PubChem (CID 163493782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).