5-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]-3-cyclopropyl-1,2,4-oxadiazole

C13H14ClN3O3S2 — CID 90564742

IUPAC5-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]-3-cyclopropyl-1,2,4-oxadiazole
SMILESO=S(=O)(c1ccc(Cl)s1)N1CCCC1c1nc(C2CC2)no1
InChIInChI=1S/C13H14ClN3O3S2/c14-10-5-6-11(21-10)22(18,19)17-7-1-2-9(17)13-15-12(16-20-13)8-3-4-8/h5-6,8-9H,1-4,7H2
InChIKeyNUNDSGASMYTOJM-UHFFFAOYSA-N
MW359.86 g/mol
LogP3.19
Rot. Bonds4

About 5-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]-3-cyclopropyl-1,2,4-oxadiazole

5-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]-3-cyclopropyl-1,2,4-oxadiazole (PubChem CID 90564742) has the molecular formula C13H14ClN3O3S2 and a molecular weight of 359.86 g/mol. Its IUPAC name is 5-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]-3-cyclopropyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]-3-cyclopropyl-1,2,4-oxadiazole
PubChem CID90564742
Molecular FormulaC13H14ClN3O3S2
Molecular Weight359.86 g/mol
Exact Mass359.02
IUPAC Name5-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]-3-cyclopropyl-1,2,4-oxadiazole
SMILESO=S(=O)(c1ccc(Cl)s1)N1CCCC1c1nc(C2CC2)no1
InChIInChI=1S/C13H14ClN3O3S2/c14-10-5-6-11(21-10)22(18,19)17-7-1-2-9(17)13-15-12(16-20-13)8-3-4-8/h5-6,8-9H,1-4,7H2
InChIKeyNUNDSGASMYTOJM-UHFFFAOYSA-N
XLogP3.19
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]-3-cyclopropyl-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1,3-benzodioxol-5-yl)-5-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole
CID 155954340
3-cyclopropyl-5-[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole
CID 90564727
5-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole
CID 46366393
2-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]pyridine
CID 47387683
2-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
CID 68616001
methyl 3-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]sulfonylthiophene-2-carboxylate
CID 90564783
3-cyclopropyl-5-[1-(4-methoxy-3-methylphenyl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole
CID 90564730
(2S)-1-(5-chlorothiophen-2-yl)sulfonyl-2-thiophen-2-ylpyrrolidine
CID 51550798
1-(5-chlorothiophen-2-yl)sulfonyl-2-methylpyrrolidine
CID 110728237
2-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]-1H-pyrrole
CID 110873160
5-[(2R)-1-(5-bromothiophen-2-yl)sulfonylpyrrolidin-2-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 95116698
5-[1-(5-bromothiophen-2-yl)sulfonylpyrrolidin-2-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 53206215

Frequently Asked Questions

What is the IUPAC name of 5-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]-3-cyclopropyl-1,2,4-oxadiazole?
The IUPAC name of 5-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]-3-cyclopropyl-1,2,4-oxadiazole (CID 90564742) is 5-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]-3-cyclopropyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]-3-cyclopropyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]-3-cyclopropyl-1,2,4-oxadiazole is O=S(=O)(c1ccc(Cl)s1)N1CCCC1c1nc(C2CC2)no1.
What is the InChIKey of 5-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]-3-cyclopropyl-1,2,4-oxadiazole?
The InChIKey is NUNDSGASMYTOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O3S2/c14-10-5-6-11(21-10)22(18,19)17-7-1-2-9(17)13-15-12(16-20-13)8-3-4-8/h5-6,8-9H,1-4,7H2.
What are the key properties of 5-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]-3-cyclopropyl-1,2,4-oxadiazole?
5-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]-3-cyclopropyl-1,2,4-oxadiazole has a molecular weight of 359.86 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]-3-cyclopropyl-1,2,4-oxadiazole is sourced from PubChem (CID 90564742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).