N-[1-[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-2-methylpropan-2-yl]methanesulfonamide

C11H23N5O4S — CID 106961703

About N-[1-[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-2-methylpropan-2-yl]methanesulfonamide

N-[1-[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-2-methylpropan-2-yl]methanesulfonamide (PubChem CID 106961703) has the molecular formula C11H23N5O4S and a molecular weight of 321.40 g/mol. Its IUPAC name is N-[1-[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-2-methylpropan-2-yl]methanesulfonamide.

Molecular Properties

• Compound Name: N-[1-[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-2-methylpropan-2-yl]methanesulfonamide
• PubChem CID: 106961703
• Molecular Formula: C11H23N5O4S
• Molecular Weight: 321.40 g/mol
• Exact Mass: 321.15
• IUPAC Name: N-[1-[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-2-methylpropan-2-yl]methanesulfonamide
• SMILES: COCCNCc1nnc(NCC(C)(C)NS(C)(=O)=O)o1
• InChI: InChI=1S/C11H23N5O4S/c1-11(2,16-21(4,17)18)8-13-10-15-14-9(20-10)7-12-5-6-19-3/h12,16H,5-8H2,1-4H3,(H,13,15)
• InChIKey: LEHFYGPJIAZITG-UHFFFAOYSA-N
• XLogP: -0.45
• TPSA: 118.38 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	321.40
LogP ≤ 5	-0.45
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[1-[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-2-methylpropan-2-yl]methanesulfonamide?

The IUPAC name of N-[1-[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-2-methylpropan-2-yl]methanesulfonamide (CID 106961703) is N-[1-[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-2-methylpropan-2-yl]methanesulfonamide.

What is the SMILES notation for N-[1-[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-2-methylpropan-2-yl]methanesulfonamide?

The canonical SMILES for N-[1-[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-2-methylpropan-2-yl]methanesulfonamide is COCCNCc1nnc(NCC(C)(C)NS(C)(=O)=O)o1.

What is the InChIKey of N-[1-[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-2-methylpropan-2-yl]methanesulfonamide?

The InChIKey is LEHFYGPJIAZITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N5O4S/c1-11(2,16-21(4,17)18)8-13-10-15-14-9(20-10)7-12-5-6-19-3/h12,16H,5-8H2,1-4H3,(H,13,15).

What are the key properties of N-[1-[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-2-methylpropan-2-yl]methanesulfonamide?

N-[1-[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-2-methylpropan-2-yl]methanesulfonamide has a molecular weight of 321.40 g/mol, XLogP of -0.45, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-2-methylpropan-2-yl]methanesulfonamide is sourced from PubChem (CID 106961703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).