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

C6H10N2O2S2 — CID 163450333

IUPAC5-methylsulfonyl-3-propyl-1,2,4-thiadiazole
SMILESCCCc1nsc(S(C)(=O)=O)n1
InChIInChI=1S/C6H10N2O2S2/c1-3-4-5-7-6(11-8-5)12(2,9)10/h3-4H2,1-2H3
InChIKeyLWVAENUYPGKNEW-UHFFFAOYSA-N
MW206.29 g/mol
LogP0.89
Rot. Bonds3

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

5-methylsulfonyl-3-propyl-1,2,4-thiadiazole (PubChem CID 163450333) has the molecular formula C6H10N2O2S2 and a molecular weight of 206.29 g/mol. Its IUPAC name is 5-methylsulfonyl-3-propyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-methylsulfonyl-3-propyl-1,2,4-thiadiazole
PubChem CID163450333
Molecular FormulaC6H10N2O2S2
Molecular Weight206.29 g/mol
Exact Mass206.02
IUPAC Name5-methylsulfonyl-3-propyl-1,2,4-thiadiazole
SMILESCCCc1nsc(S(C)(=O)=O)n1
InChIInChI=1S/C6H10N2O2S2/c1-3-4-5-7-6(11-8-5)12(2,9)10/h3-4H2,1-2H3
InChIKeyLWVAENUYPGKNEW-UHFFFAOYSA-N
XLogP0.89
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 ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methylsulfonyl-3-propyl-1,2,4-thiadiazole?
The IUPAC name of 5-methylsulfonyl-3-propyl-1,2,4-thiadiazole (CID 163450333) is 5-methylsulfonyl-3-propyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-methylsulfonyl-3-propyl-1,2,4-thiadiazole?
The canonical SMILES for 5-methylsulfonyl-3-propyl-1,2,4-thiadiazole is CCCc1nsc(S(C)(=O)=O)n1.
What is the InChIKey of 5-methylsulfonyl-3-propyl-1,2,4-thiadiazole?
The InChIKey is LWVAENUYPGKNEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2S2/c1-3-4-5-7-6(11-8-5)12(2,9)10/h3-4H2,1-2H3.
What are the key properties of 5-methylsulfonyl-3-propyl-1,2,4-thiadiazole?
5-methylsulfonyl-3-propyl-1,2,4-thiadiazole has a molecular weight of 206.29 g/mol, XLogP of 0.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfonyl-3-propyl-1,2,4-thiadiazole is sourced from PubChem (CID 163450333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).