methyl 3-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]sulfonylthiophene-2-carboxylate

C15H17N3O5S2 — CID 90564783

IUPACmethyl 3-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]sulfonylthiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)N1CCCC1c1nc(C2CC2)no1
InChIInChI=1S/C15H17N3O5S2/c1-22-15(19)12-11(6-8-24-12)25(20,21)18-7-2-3-10(18)14-16-13(17-23-14)9-4-5-9/h6,8-10H,2-5,7H2,1H3
InChIKeyWGLLOPKMSZLPAE-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.32
Rot. Bonds5

About methyl 3-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]sulfonylthiophene-2-carboxylate

methyl 3-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]sulfonylthiophene-2-carboxylate (PubChem CID 90564783) has the molecular formula C15H17N3O5S2 and a molecular weight of 383.45 g/mol. Its IUPAC name is methyl 3-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]sulfonylthiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]sulfonylthiophene-2-carboxylate
PubChem CID90564783
Molecular FormulaC15H17N3O5S2
Molecular Weight383.45 g/mol
Exact Mass383.06
IUPAC Namemethyl 3-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]sulfonylthiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)N1CCCC1c1nc(C2CC2)no1
InChIInChI=1S/C15H17N3O5S2/c1-22-15(19)12-11(6-8-24-12)25(20,21)18-7-2-3-10(18)14-16-13(17-23-14)9-4-5-9/h6,8-10H,2-5,7H2,1H3
InChIKeyWGLLOPKMSZLPAE-UHFFFAOYSA-N
XLogP2.32
TPSA102.60 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl 3-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]sulfonylthiophene-2-carboxylate with MolForge

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Related Compounds

methyl 3-[2-(4-methoxyphenyl)pyrrolidin-1-yl]sulfonylthiophene-2-carboxylate
CID 18148414
5-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]-3-cyclopropyl-1,2,4-oxadiazole
CID 90564742
methyl 3-[2-(hydroxymethyl)piperidin-1-yl]sulfonylthiophene-2-carboxylate
CID 43574438
3-cyclopropyl-5-[1-(4-methoxy-3-methylphenyl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole
CID 90564730
3-cyclopropyl-5-[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole
CID 90564727
methyl 3-[[(1R,5R)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl]sulfonyl]thiophene-2-carboxylate
CID 98193885
methyl 3-[(3R)-3-methylmorpholin-4-yl]sulfonylthiophene-2-carboxylate
CID 94113436
2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylpyrrolidine-1-carboxamide
CID 90564707
2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-(3,5-dimethoxyphenyl)pyrrolidine-1-carboxamide
CID 90564704
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 55890848
methyl 3-[[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]sulfonyl]thiophene-2-carboxylate
CID 43597562
methyl 3-(2,5-dimethylmorpholin-4-yl)sulfonylthiophene-2-carboxylate
CID 47165118

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]sulfonylthiophene-2-carboxylate?
The IUPAC name of methyl 3-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]sulfonylthiophene-2-carboxylate (CID 90564783) is methyl 3-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]sulfonylthiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]sulfonylthiophene-2-carboxylate?
The canonical SMILES for methyl 3-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]sulfonylthiophene-2-carboxylate is COC(=O)c1sccc1S(=O)(=O)N1CCCC1c1nc(C2CC2)no1.
What is the InChIKey of methyl 3-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]sulfonylthiophene-2-carboxylate?
The InChIKey is WGLLOPKMSZLPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O5S2/c1-22-15(19)12-11(6-8-24-12)25(20,21)18-7-2-3-10(18)14-16-13(17-23-14)9-4-5-9/h6,8-10H,2-5,7H2,1H3.
What are the key properties of methyl 3-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]sulfonylthiophene-2-carboxylate?
methyl 3-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]sulfonylthiophene-2-carboxylate has a molecular weight of 383.45 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]sulfonylthiophene-2-carboxylate is sourced from PubChem (CID 90564783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).