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

C15H17N5O3S2 — CID 92595356

IUPAC2-[(3S)-1-(1,5-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-5-thiophen-3-yl-1,3,4-oxadiazole
SMILESCc1c(S(=O)(=O)N2CC[C@H](c3nnc(-c4ccsc4)o3)C2)cnn1C
InChIInChI=1S/C15H17N5O3S2/c1-10-13(7-16-19(10)2)25(21,22)20-5-3-11(8-20)14-17-18-15(23-14)12-4-6-24-9-12/h4,6-7,9,11H,3,5,8H2,1-2H3/t11-/m0/s1
InChIKeyILMKOMZKDBVIPR-NSHDSACASA-N
MW379.47 g/mol
LogP2.02
Rot. Bonds4

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

2-[(3S)-1-(1,5-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-5-thiophen-3-yl-1,3,4-oxadiazole (PubChem CID 92595356) has the molecular formula C15H17N5O3S2 and a molecular weight of 379.47 g/mol. Its IUPAC name is 2-[(3S)-1-(1,5-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-5-thiophen-3-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(3S)-1-(1,5-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-5-thiophen-3-yl-1,3,4-oxadiazole
PubChem CID92595356
Molecular FormulaC15H17N5O3S2
Molecular Weight379.47 g/mol
Exact Mass379.08
IUPAC Name2-[(3S)-1-(1,5-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-5-thiophen-3-yl-1,3,4-oxadiazole
SMILESCc1c(S(=O)(=O)N2CC[C@H](c3nnc(-c4ccsc4)o3)C2)cnn1C
InChIInChI=1S/C15H17N5O3S2/c1-10-13(7-16-19(10)2)25(21,22)20-5-3-11(8-20)14-17-18-15(23-14)12-4-6-24-9-12/h4,6-7,9,11H,3,5,8H2,1-2H3/t11-/m0/s1
InChIKeyILMKOMZKDBVIPR-NSHDSACASA-N
XLogP2.02
TPSA94.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.47
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-[(2R)-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]-5-thiophen-3-yl-1,3,4-oxadiazole
CID 92595403
N,N-dimethyl-4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidine-1-sulfonamide
CID 121117215
2-[1-(2,4-dichloro-5-methylphenyl)sulfonylpiperidin-3-yl]-5-thiophen-3-yl-1,3,4-oxadiazole
CID 121117302
2-[(3R)-1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-3-yl]-5-thiophen-3-yl-1,3,4-oxadiazole
CID 97427041
5-[(3R)-1-(1,5-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 124951620
N-[4-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]sulfonylphenyl]acetamide
CID 121117210
2-[1-[(3-methylphenyl)methylsulfonyl]piperidin-4-yl]-5-thiophen-3-yl-1,3,4-oxadiazole
CID 121117253
ethyl 2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetate
CID 121116782
N-ethyl-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide
CID 121114764
1,4-bis[(1,5-dimethylpyrazol-4-yl)sulfonyl]piperazine
CID 19582904
(4-methylthiadiazol-5-yl)-[(3S)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 97426996
(4-methylthiadiazol-5-yl)-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 72717117

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-(1,5-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-5-thiophen-3-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[(3S)-1-(1,5-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-5-thiophen-3-yl-1,3,4-oxadiazole (CID 92595356) is 2-[(3S)-1-(1,5-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-5-thiophen-3-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(3S)-1-(1,5-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-5-thiophen-3-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(3S)-1-(1,5-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-5-thiophen-3-yl-1,3,4-oxadiazole is Cc1c(S(=O)(=O)N2CC[C@H](c3nnc(-c4ccsc4)o3)C2)cnn1C.
What is the InChIKey of 2-[(3S)-1-(1,5-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-5-thiophen-3-yl-1,3,4-oxadiazole?
The InChIKey is ILMKOMZKDBVIPR-NSHDSACASA-N. The full InChI is InChI=1S/C15H17N5O3S2/c1-10-13(7-16-19(10)2)25(21,22)20-5-3-11(8-20)14-17-18-15(23-14)12-4-6-24-9-12/h4,6-7,9,11H,3,5,8H2,1-2H3/t11-/m0/s1.
What are the key properties of 2-[(3S)-1-(1,5-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-5-thiophen-3-yl-1,3,4-oxadiazole?
2-[(3S)-1-(1,5-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-5-thiophen-3-yl-1,3,4-oxadiazole has a molecular weight of 379.47 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-(1,5-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-5-thiophen-3-yl-1,3,4-oxadiazole is sourced from PubChem (CID 92595356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).