(3S)-N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-1-methylsulfonylpiperidine-3-carboxamide

C13H14Cl2N4O4S2 — CID 51695962

IUPAC(3S)-N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-1-methylsulfonylpiperidine-3-carboxamide
SMILESCS(=O)(=O)N1CCC[C@H](C(=O)Nc2nnc(-c3cc(Cl)sc3Cl)o2)C1
InChIInChI=1S/C13H14Cl2N4O4S2/c1-25(21,22)19-4-2-3-7(6-19)11(20)16-13-18-17-12(23-13)8-5-9(14)24-10(8)15/h5,7H,2-4,6H2,1H3,(H,16,18,20)/t7-/m0/s1
InChIKeySAFNFZZGUOGAOJ-ZETCQYMHSA-N
MW425.32 g/mol
LogP2.71
Rot. Bonds4

About (3S)-N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-1-methylsulfonylpiperidine-3-carboxamide

(3S)-N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-1-methylsulfonylpiperidine-3-carboxamide (PubChem CID 51695962) has the molecular formula C13H14Cl2N4O4S2 and a molecular weight of 425.32 g/mol. Its IUPAC name is (3S)-N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-1-methylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-1-methylsulfonylpiperidine-3-carboxamide
PubChem CID51695962
Molecular FormulaC13H14Cl2N4O4S2
Molecular Weight425.32 g/mol
Exact Mass423.98
IUPAC Name(3S)-N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-1-methylsulfonylpiperidine-3-carboxamide
SMILESCS(=O)(=O)N1CCC[C@H](C(=O)Nc2nnc(-c3cc(Cl)sc3Cl)o2)C1
InChIInChI=1S/C13H14Cl2N4O4S2/c1-25(21,22)19-4-2-3-7(6-19)11(20)16-13-18-17-12(23-13)8-5-9(14)24-10(8)15/h5,7H,2-4,6H2,1H3,(H,16,18,20)/t7-/m0/s1
InChIKeySAFNFZZGUOGAOJ-ZETCQYMHSA-N
XLogP2.71
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.32
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-chlorophenyl)sulfonyl-N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide
CID 43973074
N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]cyclopentanecarboxamide
CID 43973089
N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-1-methylsulfonylpiperidine-3-carboxamide
CID 43972271
(3R)-N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-1-methylsulfonylpiperidine-3-carboxamide
CID 51696146
N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-methylsulfonylpiperidine-3-carboxamide
CID 43975778
N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 16862940
1-(benzenesulfonyl)-N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide
CID 16861667
N-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-(5-chlorothiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 16854465
1-methylsulfonyl-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide
CID 43973630
N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]acetamide
CID 43972843
1-(benzenesulfonyl)-N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide
CID 43976575
1-(4-chlorophenyl)sulfonyl-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide
CID 43977858

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-1-methylsulfonylpiperidine-3-carboxamide?
The IUPAC name of (3S)-N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-1-methylsulfonylpiperidine-3-carboxamide (CID 51695962) is (3S)-N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-1-methylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-1-methylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-1-methylsulfonylpiperidine-3-carboxamide is CS(=O)(=O)N1CCC[C@H](C(=O)Nc2nnc(-c3cc(Cl)sc3Cl)o2)C1.
What is the InChIKey of (3S)-N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-1-methylsulfonylpiperidine-3-carboxamide?
The InChIKey is SAFNFZZGUOGAOJ-ZETCQYMHSA-N. The full InChI is InChI=1S/C13H14Cl2N4O4S2/c1-25(21,22)19-4-2-3-7(6-19)11(20)16-13-18-17-12(23-13)8-5-9(14)24-10(8)15/h5,7H,2-4,6H2,1H3,(H,16,18,20)/t7-/m0/s1.
What are the key properties of (3S)-N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-1-methylsulfonylpiperidine-3-carboxamide?
(3S)-N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-1-methylsulfonylpiperidine-3-carboxamide has a molecular weight of 425.32 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-1-methylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 51695962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).