3-[[(3R)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]-methylamino]propane-1-sulfonamide

C14H27N5O3S — CID 95614070

About 3-[[(3R)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]-methylamino]propane-1-sulfonamide

3-[[(3R)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]-methylamino]propane-1-sulfonamide (PubChem CID 95614070) has the molecular formula C14H27N5O3S and a molecular weight of 345.47 g/mol. Its IUPAC name is 3-[[(3R)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]-methylamino]propane-1-sulfonamide.

Molecular Properties

• Compound Name: 3-[[(3R)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]-methylamino]propane-1-sulfonamide
• PubChem CID: 95614070
• Molecular Formula: C14H27N5O3S
• Molecular Weight: 345.47 g/mol
• Exact Mass: 345.18
• IUPAC Name: 3-[[(3R)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]-methylamino]propane-1-sulfonamide
• SMILES: CCc1nc(CN2CCC[C@@H](N(C)CCCS(N)(=O)=O)C2)no1
• InChI: InChI=1S/C14H27N5O3S/c1-3-14-16-13(17-22-14)11-19-8-4-6-12(10-19)18(2)7-5-9-23(15,20)21/h12H,3-11H2,1-2H3,(H2,15,20,21)/t12-/m1/s1
• InChIKey: JLCHJXRPSIZBIH-GFCCVEGCSA-N
• XLogP: 0.21
• TPSA: 105.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	345.47
LogP ≤ 5	0.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[[(3R)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]-methylamino]propane-1-sulfonamide?

The IUPAC name of 3-[[(3R)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]-methylamino]propane-1-sulfonamide (CID 95614070) is 3-[[(3R)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]-methylamino]propane-1-sulfonamide.

What is the SMILES notation for 3-[[(3R)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]-methylamino]propane-1-sulfonamide?

The canonical SMILES for 3-[[(3R)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]-methylamino]propane-1-sulfonamide is CCc1nc(CN2CCC[C@@H](N(C)CCCS(N)(=O)=O)C2)no1.

What is the InChIKey of 3-[[(3R)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]-methylamino]propane-1-sulfonamide?

The InChIKey is JLCHJXRPSIZBIH-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H27N5O3S/c1-3-14-16-13(17-22-14)11-19-8-4-6-12(10-19)18(2)7-5-9-23(15,20)21/h12H,3-11H2,1-2H3,(H2,15,20,21)/t12-/m1/s1.

What are the key properties of 3-[[(3R)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]-methylamino]propane-1-sulfonamide?

3-[[(3R)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]-methylamino]propane-1-sulfonamide has a molecular weight of 345.47 g/mol, XLogP of 0.21, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[(3R)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]-methylamino]propane-1-sulfonamide is sourced from PubChem (CID 95614070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).