(3S)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide

C19H21N5O4S2 — CID 92895841

About (3S)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide

(3S)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide (PubChem CID 92895841) has the molecular formula C19H21N5O4S2 and a molecular weight of 447.54 g/mol. Its IUPAC name is (3S)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3S)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
• PubChem CID: 92895841
• Molecular Formula: C19H21N5O4S2
• Molecular Weight: 447.54 g/mol
• Exact Mass: 447.10
• IUPAC Name: (3S)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
• SMILES: Cc1nc(-c2csc(S(=O)(=O)N3CCC[C@H](C(=O)NCc4cccnc4)C3)c2)no1
• InChI: InChI=1S/C19H21N5O4S2/c1-13-22-18(23-28-13)16-8-17(29-12-16)30(26,27)24-7-3-5-15(11-24)19(25)21-10-14-4-2-6-20-9-14/h2,4,6,8-9,12,15H,3,5,7,10-11H2,1H3,(H,21,25)/t15-/m0/s1
• InChIKey: FLHITTNWWJSMQL-HNNXBMFYSA-N
• XLogP: 2.22
• TPSA: 118.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.54
LogP ≤ 5	2.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide?

The IUPAC name of (3S)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide (CID 92895841) is (3S)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide.

What is the SMILES notation for (3S)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide?

The canonical SMILES for (3S)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide is Cc1nc(-c2csc(S(=O)(=O)N3CCC[C@H](C(=O)NCc4cccnc4)C3)c2)no1.

What is the InChIKey of (3S)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide?

The InChIKey is FLHITTNWWJSMQL-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H21N5O4S2/c1-13-22-18(23-28-13)16-8-17(29-12-16)30(26,27)24-7-3-5-15(11-24)19(25)21-10-14-4-2-6-20-9-14/h2,4,6,8-9,12,15H,3,5,7,10-11H2,1H3,(H,21,25)/t15-/m0/s1.

What are the key properties of (3S)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide?

(3S)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide has a molecular weight of 447.54 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 92895841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).