4-[(3R)-3-methylpiperidin-1-yl]sulfonyl-N-[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]benzamide

C17H22N4O4S2 — CID 2155646

About 4-[(3R)-3-methylpiperidin-1-yl]sulfonyl-N-[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]benzamide

4-[(3R)-3-methylpiperidin-1-yl]sulfonyl-N-[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 2155646) has the molecular formula C17H22N4O4S2 and a molecular weight of 410.52 g/mol. Its IUPAC name is 4-[(3R)-3-methylpiperidin-1-yl]sulfonyl-N-[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

• Compound Name: 4-[(3R)-3-methylpiperidin-1-yl]sulfonyl-N-[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]benzamide
• PubChem CID: 2155646
• Molecular Formula: C17H22N4O4S2
• Molecular Weight: 410.52 g/mol
• Exact Mass: 410.11
• IUPAC Name: 4-[(3R)-3-methylpiperidin-1-yl]sulfonyl-N-[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]benzamide
• SMILES: CSCc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)o1
• InChI: InChI=1S/C17H22N4O4S2/c1-12-4-3-9-21(10-12)27(23,24)14-7-5-13(6-8-14)16(22)18-17-20-19-15(25-17)11-26-2/h5-8,12H,3-4,9-11H2,1-2H3,(H,18,20,22)/t12-/m1/s1
• InChIKey: XDUGGMSPYOCLAH-GFCCVEGCSA-N
• XLogP: 2.61
• TPSA: 105.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.52
LogP ≤ 5	2.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-methylpiperidin-1-yl]sulfonyl-N-[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]benzamide?

The IUPAC name of 4-[(3R)-3-methylpiperidin-1-yl]sulfonyl-N-[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]benzamide (CID 2155646) is 4-[(3R)-3-methylpiperidin-1-yl]sulfonyl-N-[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]benzamide.

What is the SMILES notation for 4-[(3R)-3-methylpiperidin-1-yl]sulfonyl-N-[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]benzamide?

The canonical SMILES for 4-[(3R)-3-methylpiperidin-1-yl]sulfonyl-N-[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]benzamide is CSCc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)o1.

What is the InChIKey of 4-[(3R)-3-methylpiperidin-1-yl]sulfonyl-N-[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]benzamide?

The InChIKey is XDUGGMSPYOCLAH-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H22N4O4S2/c1-12-4-3-9-21(10-12)27(23,24)14-7-5-13(6-8-14)16(22)18-17-20-19-15(25-17)11-26-2/h5-8,12H,3-4,9-11H2,1-2H3,(H,18,20,22)/t12-/m1/s1.

What are the key properties of 4-[(3R)-3-methylpiperidin-1-yl]sulfonyl-N-[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]benzamide?

4-[(3R)-3-methylpiperidin-1-yl]sulfonyl-N-[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 410.52 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(3R)-3-methylpiperidin-1-yl]sulfonyl-N-[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 2155646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).