2-[(2S)-1-cyclohexylsulfonylpyrrolidin-2-yl]-5-thiophen-3-yl-1,3,4-oxadiazole

C16H21N3O3S2 — CID 95849941

IUPAC2-[(2S)-1-cyclohexylsulfonylpyrrolidin-2-yl]-5-thiophen-3-yl-1,3,4-oxadiazole
SMILESO=S(=O)(C1CCCCC1)N1CCC[C@H]1c1nnc(-c2ccsc2)o1
InChIInChI=1S/C16H21N3O3S2/c20-24(21,13-5-2-1-3-6-13)19-9-4-7-14(19)16-18-17-15(22-16)12-8-10-23-11-12/h8,10-11,13-14H,1-7,9H2/t14-/m0/s1
InChIKeyYJUKJFNEBOSTCZ-AWEZNQCLSA-N
MW367.50 g/mol
LogP3.60
Rot. Bonds4

About 2-[(2S)-1-cyclohexylsulfonylpyrrolidin-2-yl]-5-thiophen-3-yl-1,3,4-oxadiazole

2-[(2S)-1-cyclohexylsulfonylpyrrolidin-2-yl]-5-thiophen-3-yl-1,3,4-oxadiazole (PubChem CID 95849941) has the molecular formula C16H21N3O3S2 and a molecular weight of 367.50 g/mol. Its IUPAC name is 2-[(2S)-1-cyclohexylsulfonylpyrrolidin-2-yl]-5-thiophen-3-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(2S)-1-cyclohexylsulfonylpyrrolidin-2-yl]-5-thiophen-3-yl-1,3,4-oxadiazole
PubChem CID95849941
Molecular FormulaC16H21N3O3S2
Molecular Weight367.50 g/mol
Exact Mass367.10
IUPAC Name2-[(2S)-1-cyclohexylsulfonylpyrrolidin-2-yl]-5-thiophen-3-yl-1,3,4-oxadiazole
SMILESO=S(=O)(C1CCCCC1)N1CCC[C@H]1c1nnc(-c2ccsc2)o1
InChIInChI=1S/C16H21N3O3S2/c20-24(21,13-5-2-1-3-6-13)19-9-4-7-14(19)16-18-17-15(22-16)12-8-10-23-11-12/h8,10-11,13-14H,1-7,9H2/t14-/m0/s1
InChIKeyYJUKJFNEBOSTCZ-AWEZNQCLSA-N
XLogP3.60
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[(2S)-1-cyclohexylsulfonylpyrrolidin-2-yl]-5-thiophen-3-yl-1,3,4-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

2-[(2R)-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]-5-thiophen-3-yl-1,3,4-oxadiazole
CID 92595403
2-(1-cyclohexylsulfonylpyrrolidin-2-yl)-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
CID 110217624
1-[(2R)-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]butan-1-one
CID 92586495
2-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-5-thiophen-3-yl-1,3,4-oxadiazole
CID 110217557
N,N-dimethyl-4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidine-1-sulfonamide
CID 121117215
2-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
CID 68616001
N-ethyl-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide
CID 121114764
2-(4-tert-butylphenoxy)-1-[(2R)-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]ethanone
CID 92552698
[(2R)-2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 125023784
phenyl-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 121114576
3-[2-oxo-2-[2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]ethyl]thieno[2,3-d]pyrimidin-4-one
CID 110217553
2-[1-(2,4-dichloro-5-methylphenyl)sulfonylpiperidin-3-yl]-5-thiophen-3-yl-1,3,4-oxadiazole
CID 121117302

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-cyclohexylsulfonylpyrrolidin-2-yl]-5-thiophen-3-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[(2S)-1-cyclohexylsulfonylpyrrolidin-2-yl]-5-thiophen-3-yl-1,3,4-oxadiazole (CID 95849941) is 2-[(2S)-1-cyclohexylsulfonylpyrrolidin-2-yl]-5-thiophen-3-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(2S)-1-cyclohexylsulfonylpyrrolidin-2-yl]-5-thiophen-3-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(2S)-1-cyclohexylsulfonylpyrrolidin-2-yl]-5-thiophen-3-yl-1,3,4-oxadiazole is O=S(=O)(C1CCCCC1)N1CCC[C@H]1c1nnc(-c2ccsc2)o1.
What is the InChIKey of 2-[(2S)-1-cyclohexylsulfonylpyrrolidin-2-yl]-5-thiophen-3-yl-1,3,4-oxadiazole?
The InChIKey is YJUKJFNEBOSTCZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H21N3O3S2/c20-24(21,13-5-2-1-3-6-13)19-9-4-7-14(19)16-18-17-15(22-16)12-8-10-23-11-12/h8,10-11,13-14H,1-7,9H2/t14-/m0/s1.
What are the key properties of 2-[(2S)-1-cyclohexylsulfonylpyrrolidin-2-yl]-5-thiophen-3-yl-1,3,4-oxadiazole?
2-[(2S)-1-cyclohexylsulfonylpyrrolidin-2-yl]-5-thiophen-3-yl-1,3,4-oxadiazole has a molecular weight of 367.50 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-cyclohexylsulfonylpyrrolidin-2-yl]-5-thiophen-3-yl-1,3,4-oxadiazole is sourced from PubChem (CID 95849941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).