3-[1-(5-ethylthiophen-2-yl)sulfonylpyrrolidin-3-yl]oxy-1,2,5-thiadiazole

C12H15N3O3S3 — CID 126853878

IUPAC3-[1-(5-ethylthiophen-2-yl)sulfonylpyrrolidin-3-yl]oxy-1,2,5-thiadiazole
SMILESCCc1ccc(S(=O)(=O)N2CCC(Oc3cnsn3)C2)s1
InChIInChI=1S/C12H15N3O3S3/c1-2-10-3-4-12(19-10)21(16,17)15-6-5-9(8-15)18-11-7-13-20-14-11/h3-4,7,9H,2,5-6,8H2,1H3
InChIKeyBILZBWCNKYQIMI-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.00
Rot. Bonds5

About 3-[1-(5-ethylthiophen-2-yl)sulfonylpyrrolidin-3-yl]oxy-1,2,5-thiadiazole

3-[1-(5-ethylthiophen-2-yl)sulfonylpyrrolidin-3-yl]oxy-1,2,5-thiadiazole (PubChem CID 126853878) has the molecular formula C12H15N3O3S3 and a molecular weight of 345.47 g/mol. Its IUPAC name is 3-[1-(5-ethylthiophen-2-yl)sulfonylpyrrolidin-3-yl]oxy-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-[1-(5-ethylthiophen-2-yl)sulfonylpyrrolidin-3-yl]oxy-1,2,5-thiadiazole
PubChem CID126853878
Molecular FormulaC12H15N3O3S3
Molecular Weight345.47 g/mol
Exact Mass345.03
IUPAC Name3-[1-(5-ethylthiophen-2-yl)sulfonylpyrrolidin-3-yl]oxy-1,2,5-thiadiazole
SMILESCCc1ccc(S(=O)(=O)N2CCC(Oc3cnsn3)C2)s1
InChIInChI=1S/C12H15N3O3S3/c1-2-10-3-4-12(19-10)21(16,17)15-6-5-9(8-15)18-11-7-13-20-14-11/h3-4,7,9H,2,5-6,8H2,1H3
InChIKeyBILZBWCNKYQIMI-UHFFFAOYSA-N
XLogP2.00
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-ethylthiophen-2-yl)sulfonylpyrrolidin-3-yl]oxy-1,2,5-thiadiazole?
The IUPAC name of 3-[1-(5-ethylthiophen-2-yl)sulfonylpyrrolidin-3-yl]oxy-1,2,5-thiadiazole (CID 126853878) is 3-[1-(5-ethylthiophen-2-yl)sulfonylpyrrolidin-3-yl]oxy-1,2,5-thiadiazole.
What is the SMILES notation for 3-[1-(5-ethylthiophen-2-yl)sulfonylpyrrolidin-3-yl]oxy-1,2,5-thiadiazole?
The canonical SMILES for 3-[1-(5-ethylthiophen-2-yl)sulfonylpyrrolidin-3-yl]oxy-1,2,5-thiadiazole is CCc1ccc(S(=O)(=O)N2CCC(Oc3cnsn3)C2)s1.
What is the InChIKey of 3-[1-(5-ethylthiophen-2-yl)sulfonylpyrrolidin-3-yl]oxy-1,2,5-thiadiazole?
The InChIKey is BILZBWCNKYQIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S3/c1-2-10-3-4-12(19-10)21(16,17)15-6-5-9(8-15)18-11-7-13-20-14-11/h3-4,7,9H,2,5-6,8H2,1H3.
What are the key properties of 3-[1-(5-ethylthiophen-2-yl)sulfonylpyrrolidin-3-yl]oxy-1,2,5-thiadiazole?
3-[1-(5-ethylthiophen-2-yl)sulfonylpyrrolidin-3-yl]oxy-1,2,5-thiadiazole has a molecular weight of 345.47 g/mol, XLogP of 2.00, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-ethylthiophen-2-yl)sulfonylpyrrolidin-3-yl]oxy-1,2,5-thiadiazole is sourced from PubChem (CID 126853878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).