pyrrolidin-1-yl-[5-(5-pyrrolidin-1-ylsulfonylthiophen-3-yl)-1,3,4-oxadiazol-2-yl]methanone

C15H18N4O4S2 — CID 53011795

IUPACpyrrolidin-1-yl-[5-(5-pyrrolidin-1-ylsulfonylthiophen-3-yl)-1,3,4-oxadiazol-2-yl]methanone
SMILESO=C(c1nnc(-c2csc(S(=O)(=O)N3CCCC3)c2)o1)N1CCCC1
InChIInChI=1S/C15H18N4O4S2/c20-15(18-5-1-2-6-18)14-17-16-13(23-14)11-9-12(24-10-11)25(21,22)19-7-3-4-8-19/h9-10H,1-8H2
InChIKeyFIJMYLYRBSBKDK-UHFFFAOYSA-N
MW382.47 g/mol
LogP1.82
Rot. Bonds4

About pyrrolidin-1-yl-[5-(5-pyrrolidin-1-ylsulfonylthiophen-3-yl)-1,3,4-oxadiazol-2-yl]methanone

pyrrolidin-1-yl-[5-(5-pyrrolidin-1-ylsulfonylthiophen-3-yl)-1,3,4-oxadiazol-2-yl]methanone (PubChem CID 53011795) has the molecular formula C15H18N4O4S2 and a molecular weight of 382.47 g/mol. Its IUPAC name is pyrrolidin-1-yl-[5-(5-pyrrolidin-1-ylsulfonylthiophen-3-yl)-1,3,4-oxadiazol-2-yl]methanone.

Molecular Properties

Compound Namepyrrolidin-1-yl-[5-(5-pyrrolidin-1-ylsulfonylthiophen-3-yl)-1,3,4-oxadiazol-2-yl]methanone
PubChem CID53011795
Molecular FormulaC15H18N4O4S2
Molecular Weight382.47 g/mol
Exact Mass382.08
IUPAC Namepyrrolidin-1-yl-[5-(5-pyrrolidin-1-ylsulfonylthiophen-3-yl)-1,3,4-oxadiazol-2-yl]methanone
SMILESO=C(c1nnc(-c2csc(S(=O)(=O)N3CCCC3)c2)o1)N1CCCC1
InChIInChI=1S/C15H18N4O4S2/c20-15(18-5-1-2-6-18)14-17-16-13(23-14)11-9-12(24-10-11)25(21,22)19-7-3-4-8-19/h9-10H,1-8H2
InChIKeyFIJMYLYRBSBKDK-UHFFFAOYSA-N
XLogP1.82
TPSA96.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of pyrrolidin-1-yl-[5-(5-pyrrolidin-1-ylsulfonylthiophen-3-yl)-1,3,4-oxadiazol-2-yl]methanone?
The IUPAC name of pyrrolidin-1-yl-[5-(5-pyrrolidin-1-ylsulfonylthiophen-3-yl)-1,3,4-oxadiazol-2-yl]methanone (CID 53011795) is pyrrolidin-1-yl-[5-(5-pyrrolidin-1-ylsulfonylthiophen-3-yl)-1,3,4-oxadiazol-2-yl]methanone.
What is the SMILES notation for pyrrolidin-1-yl-[5-(5-pyrrolidin-1-ylsulfonylthiophen-3-yl)-1,3,4-oxadiazol-2-yl]methanone?
The canonical SMILES for pyrrolidin-1-yl-[5-(5-pyrrolidin-1-ylsulfonylthiophen-3-yl)-1,3,4-oxadiazol-2-yl]methanone is O=C(c1nnc(-c2csc(S(=O)(=O)N3CCCC3)c2)o1)N1CCCC1.
What is the InChIKey of pyrrolidin-1-yl-[5-(5-pyrrolidin-1-ylsulfonylthiophen-3-yl)-1,3,4-oxadiazol-2-yl]methanone?
The InChIKey is FIJMYLYRBSBKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O4S2/c20-15(18-5-1-2-6-18)14-17-16-13(23-14)11-9-12(24-10-11)25(21,22)19-7-3-4-8-19/h9-10H,1-8H2.
What are the key properties of pyrrolidin-1-yl-[5-(5-pyrrolidin-1-ylsulfonylthiophen-3-yl)-1,3,4-oxadiazol-2-yl]methanone?
pyrrolidin-1-yl-[5-(5-pyrrolidin-1-ylsulfonylthiophen-3-yl)-1,3,4-oxadiazol-2-yl]methanone has a molecular weight of 382.47 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-1-yl-[5-(5-pyrrolidin-1-ylsulfonylthiophen-3-yl)-1,3,4-oxadiazol-2-yl]methanone is sourced from PubChem (CID 53011795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).