(3R)-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-3-carboxylic acid

C15H19N3O5S2 — CID 92863922

IUPAC(3R)-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-3-carboxylic acid
SMILESCCc1nc(-c2cc(S(=O)(=O)N3CCC[C@@H](C(=O)O)C3)c(C)s2)no1
InChIInChI=1S/C15H19N3O5S2/c1-3-13-16-14(17-23-13)11-7-12(9(2)24-11)25(21,22)18-6-4-5-10(8-18)15(19)20/h7,10H,3-6,8H2,1-2H3,(H,19,20)/t10-/m1/s1
InChIKeyGRUQHIZDKRCTKO-SNVBAGLBSA-N
MW385.47 g/mol
LogP2.15
Rot. Bonds5

About (3R)-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-3-carboxylic acid

(3R)-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-3-carboxylic acid (PubChem CID 92863922) has the molecular formula C15H19N3O5S2 and a molecular weight of 385.47 g/mol. Its IUPAC name is (3R)-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-3-carboxylic acid
PubChem CID92863922
Molecular FormulaC15H19N3O5S2
Molecular Weight385.47 g/mol
Exact Mass385.08
IUPAC Name(3R)-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-3-carboxylic acid
SMILESCCc1nc(-c2cc(S(=O)(=O)N3CCC[C@@H](C(=O)O)C3)c(C)s2)no1
InChIInChI=1S/C15H19N3O5S2/c1-3-13-16-14(17-23-13)11-7-12(9(2)24-11)25(21,22)18-6-4-5-10(8-18)15(19)20/h7,10H,3-6,8H2,1-2H3,(H,19,20)/t10-/m1/s1
InChIKeyGRUQHIZDKRCTKO-SNVBAGLBSA-N
XLogP2.15
TPSA113.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[(3R)-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidin-3-yl]-piperidin-1-ylmethanone
CID 93058356
N-cyclopropyl-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-3-carboxamide
CID 53007063
N-cyclopentyl-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-3-carboxamide
CID 53042448
(3R)-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl-N-phenylpiperidine-3-carboxamide
CID 93075495
[1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone
CID 53007067
[(3S)-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone
CID 93068355
(3R)-1-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-3-carboxylic acid
CID 92863930
N-(2,3-dimethylphenyl)-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-3-carboxamide
CID 53042449
(3R)-N-[(2-chlorophenyl)methyl]-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-3-carboxamide
CID 93075609
(3S)-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 93075482
3,4-dihydro-1H-isoquinolin-2-yl-[(3R)-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidin-3-yl]methanone
CID 93075617
(3R)-N-(1,3-benzodioxol-5-yl)-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-3-carboxamide
CID 93068420

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-3-carboxylic acid (CID 92863922) is (3R)-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-3-carboxylic acid is CCc1nc(-c2cc(S(=O)(=O)N3CCC[C@@H](C(=O)O)C3)c(C)s2)no1.
What is the InChIKey of (3R)-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-3-carboxylic acid?
The InChIKey is GRUQHIZDKRCTKO-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H19N3O5S2/c1-3-13-16-14(17-23-13)11-7-12(9(2)24-11)25(21,22)18-6-4-5-10(8-18)15(19)20/h7,10H,3-6,8H2,1-2H3,(H,19,20)/t10-/m1/s1.
What are the key properties of (3R)-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-3-carboxylic acid?
(3R)-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-3-carboxylic acid has a molecular weight of 385.47 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-3-carboxylic acid is sourced from PubChem (CID 92863922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).