1-methylsulfonyl-N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)butan-2-yl]piperidine-4-carboxamide

C17H24N4O5S2 — CID 16671716

About 1-methylsulfonyl-N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)butan-2-yl]piperidine-4-carboxamide

1-methylsulfonyl-N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)butan-2-yl]piperidine-4-carboxamide (PubChem CID 16671716) has the molecular formula C17H24N4O5S2 and a molecular weight of 428.54 g/mol. Its IUPAC name is 1-methylsulfonyl-N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)butan-2-yl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-methylsulfonyl-N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)butan-2-yl]piperidine-4-carboxamide
• PubChem CID: 16671716
• Molecular Formula: C17H24N4O5S2
• Molecular Weight: 428.54 g/mol
• Exact Mass: 428.12
• IUPAC Name: 1-methylsulfonyl-N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)butan-2-yl]piperidine-4-carboxamide
• SMILES: CC[C@@H](Cn1nc(-c2cccs2)oc1=O)NC(=O)C1CCN(S(C)(=O)=O)CC1
• InChI: InChI=1S/C17H24N4O5S2/c1-3-13(11-21-17(23)26-16(19-21)14-5-4-10-27-14)18-15(22)12-6-8-20(9-7-12)28(2,24)25/h4-5,10,12-13H,3,6-9,11H2,1-2H3,(H,18,22)/t13-/m0/s1
• InChIKey: WLMZYMOKPYSYNE-ZDUSSCGKSA-N
• XLogP: 1.13
• TPSA: 114.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.54
LogP ≤ 5	1.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)butan-2-yl]piperidine-4-carboxamide?

The IUPAC name of 1-methylsulfonyl-N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)butan-2-yl]piperidine-4-carboxamide (CID 16671716) is 1-methylsulfonyl-N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)butan-2-yl]piperidine-4-carboxamide.

What is the SMILES notation for 1-methylsulfonyl-N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)butan-2-yl]piperidine-4-carboxamide?

The canonical SMILES for 1-methylsulfonyl-N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)butan-2-yl]piperidine-4-carboxamide is CC[C@@H](Cn1nc(-c2cccs2)oc1=O)NC(=O)C1CCN(S(C)(=O)=O)CC1.

What is the InChIKey of 1-methylsulfonyl-N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)butan-2-yl]piperidine-4-carboxamide?

The InChIKey is WLMZYMOKPYSYNE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H24N4O5S2/c1-3-13(11-21-17(23)26-16(19-21)14-5-4-10-27-14)18-15(22)12-6-8-20(9-7-12)28(2,24)25/h4-5,10,12-13H,3,6-9,11H2,1-2H3,(H,18,22)/t13-/m0/s1.

What are the key properties of 1-methylsulfonyl-N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)butan-2-yl]piperidine-4-carboxamide?

1-methylsulfonyl-N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)butan-2-yl]piperidine-4-carboxamide has a molecular weight of 428.54 g/mol, XLogP of 1.13, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methylsulfonyl-N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)butan-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 16671716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).