(4-methylsulfonylpiperazin-1-yl)-[(3S)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methanone

C18H25N5O4S2 — CID 52907841

About (4-methylsulfonylpiperazin-1-yl)-[(3S)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methanone

(4-methylsulfonylpiperazin-1-yl)-[(3S)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methanone (PubChem CID 52907841) has the molecular formula C18H25N5O4S2 and a molecular weight of 439.56 g/mol. Its IUPAC name is (4-methylsulfonylpiperazin-1-yl)-[(3S)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methanone.

Molecular Properties

• Compound Name: (4-methylsulfonylpiperazin-1-yl)-[(3S)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methanone
• PubChem CID: 52907841
• Molecular Formula: C18H25N5O4S2
• Molecular Weight: 439.56 g/mol
• Exact Mass: 439.13
• IUPAC Name: (4-methylsulfonylpiperazin-1-yl)-[(3S)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methanone
• SMILES: CS(=O)(=O)N1CCN(C(=O)[C@H]2CCCN(Cc3nc(-c4cccs4)no3)C2)CC1
• InChI: InChI=1S/C18H25N5O4S2/c1-29(25,26)23-9-7-22(8-10-23)18(24)14-4-2-6-21(12-14)13-16-19-17(20-27-16)15-5-3-11-28-15/h3,5,11,14H,2,4,6-10,12-13H2,1H3/t14-/m0/s1
• InChIKey: VKIAZWPSDGYDIN-AWEZNQCLSA-N
• XLogP: 1.11
• TPSA: 99.85 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.56
LogP ≤ 5	1.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (4-methylsulfonylpiperazin-1-yl)-[(3S)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methanone?

The IUPAC name of (4-methylsulfonylpiperazin-1-yl)-[(3S)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methanone (CID 52907841) is (4-methylsulfonylpiperazin-1-yl)-[(3S)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methanone.

What is the SMILES notation for (4-methylsulfonylpiperazin-1-yl)-[(3S)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methanone?

The canonical SMILES for (4-methylsulfonylpiperazin-1-yl)-[(3S)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methanone is CS(=O)(=O)N1CCN(C(=O)[C@H]2CCCN(Cc3nc(-c4cccs4)no3)C2)CC1.

What is the InChIKey of (4-methylsulfonylpiperazin-1-yl)-[(3S)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methanone?

The InChIKey is VKIAZWPSDGYDIN-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H25N5O4S2/c1-29(25,26)23-9-7-22(8-10-23)18(24)14-4-2-6-21(12-14)13-16-19-17(20-27-16)15-5-3-11-28-15/h3,5,11,14H,2,4,6-10,12-13H2,1H3/t14-/m0/s1.

What are the key properties of (4-methylsulfonylpiperazin-1-yl)-[(3S)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methanone?

(4-methylsulfonylpiperazin-1-yl)-[(3S)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methanone has a molecular weight of 439.56 g/mol, XLogP of 1.11, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (4-methylsulfonylpiperazin-1-yl)-[(3S)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methanone is sourced from PubChem (CID 52907841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).