1-(4-methylpiperidin-1-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfonyl]ethanone

C14H17N3O4S2 — CID 3303963

IUPAC1-(4-methylpiperidin-1-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfonyl]ethanone
SMILESCC1CCN(C(=O)CS(=O)(=O)c2nnc(-c3cccs3)o2)CC1
InChIInChI=1S/C14H17N3O4S2/c1-10-4-6-17(7-5-10)12(18)9-23(19,20)14-16-15-13(21-14)11-3-2-8-22-11/h2-3,8,10H,4-7,9H2,1H3
InChIKeyVVYGSQSYNMWYGC-UHFFFAOYSA-N
MW355.44 g/mol
LogP1.83
Rot. Bonds4

About 1-(4-methylpiperidin-1-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfonyl]ethanone

1-(4-methylpiperidin-1-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfonyl]ethanone (PubChem CID 3303963) has the molecular formula C14H17N3O4S2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 1-(4-methylpiperidin-1-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfonyl]ethanone.

Molecular Properties

Compound Name1-(4-methylpiperidin-1-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfonyl]ethanone
PubChem CID3303963
Molecular FormulaC14H17N3O4S2
Molecular Weight355.44 g/mol
Exact Mass355.07
IUPAC Name1-(4-methylpiperidin-1-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfonyl]ethanone
SMILESCC1CCN(C(=O)CS(=O)(=O)c2nnc(-c3cccs3)o2)CC1
InChIInChI=1S/C14H17N3O4S2/c1-10-4-6-17(7-5-10)12(18)9-23(19,20)14-16-15-13(21-14)11-3-2-8-22-11/h2-3,8,10H,4-7,9H2,1H3
InChIKeyVVYGSQSYNMWYGC-UHFFFAOYSA-N
XLogP1.83
TPSA93.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-(4-methylpiperidin-1-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfonyl]ethanone with MolForge

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Related Compounds

2-[[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfonyl]-1-(4-methylpiperidin-1-yl)ethanone
CID 3530849
ethyl 6-methyl-2-[[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfonyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 3661683
methyl 1-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]piperidine-4-carboxylate
CID 7981721
2-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfonyl]-1-(3-methylpiperidin-1-yl)ethanone
CID 4150566
2-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfonyl]-1-(3-methylpiperidin-1-yl)ethanone
CID 5010101
2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfonyl]-1-piperidin-1-ylethanone
CID 5080102
2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfonyl]-1-piperidin-1-ylethanone
CID 5207611
N-methyl-4-[3-oxo-3-[(3R)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]propyl]benzenesulfonamide
CID 95850290
2-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-1-(4-methylpiperidin-1-yl)ethanone
CID 28714175
2-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfonyl]-1-piperidin-1-ylethanone
CID 4135331
2-(4-chlorophenyl)sulfonyl-1-(4-methylpiperidin-1-yl)ethanone
CID 78761127
3-cyclopentyl-1-[(3S)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-1-one
CID 51895983

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperidin-1-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfonyl]ethanone?
The IUPAC name of 1-(4-methylpiperidin-1-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfonyl]ethanone (CID 3303963) is 1-(4-methylpiperidin-1-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfonyl]ethanone.
What is the SMILES notation for 1-(4-methylpiperidin-1-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfonyl]ethanone?
The canonical SMILES for 1-(4-methylpiperidin-1-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfonyl]ethanone is CC1CCN(C(=O)CS(=O)(=O)c2nnc(-c3cccs3)o2)CC1.
What is the InChIKey of 1-(4-methylpiperidin-1-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfonyl]ethanone?
The InChIKey is VVYGSQSYNMWYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4S2/c1-10-4-6-17(7-5-10)12(18)9-23(19,20)14-16-15-13(21-14)11-3-2-8-22-11/h2-3,8,10H,4-7,9H2,1H3.
What are the key properties of 1-(4-methylpiperidin-1-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfonyl]ethanone?
1-(4-methylpiperidin-1-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfonyl]ethanone has a molecular weight of 355.44 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperidin-1-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfonyl]ethanone is sourced from PubChem (CID 3303963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).