N-(4-azido-3,3-dimethyl-2-propan-2-yloxybutyl)methanesulfonamide

C₁₀H₂₂N₄O₃S — CID 118241711

About N-(4-azido-3,3-dimethyl-2-propan-2-yloxybutyl)methanesulfonamide

N-(4-azido-3,3-dimethyl-2-propan-2-yloxybutyl)methanesulfonamide (PubChem CID 118241711) has the molecular formula C₁₀H₂₂N₄O₃S and a molecular weight of 278.38 g/mol. Its IUPAC name is N-(4-azido-3,3-dimethyl-2-propan-2-yloxybutyl)methanesulfonamide.

Molecular Properties

• Compound Name: N-(4-azido-3,3-dimethyl-2-propan-2-yloxybutyl)methanesulfonamide
• PubChem CID: 118241711
• Molecular Formula: C₁₀H₂₂N₄O₃S
• Molecular Weight: 278.38 g/mol
• Exact Mass: 278.14
• IUPAC Name: N-(4-azido-3,3-dimethyl-2-propan-2-yloxybutyl)methanesulfonamide
• SMILES: CC(C)OC(CNS(C)(=O)=O)C(C)(C)CN=[N+]=[N-]
• InChI: InChI=1S/C10H22N4O3S/c1-8(2)17-9(6-13-18(5,15)16)10(3,4)7-12-14-11/h8-9,13H,6-7H2,1-5H3
• InChIKey: RGCLMLKPQSNVRZ-UHFFFAOYSA-N
• XLogP: 1.67
• TPSA: 104.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	278.38
LogP ≤ 5	1.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(4-azido-3,3-dimethyl-2-propan-2-yloxybutyl)methanesulfonamide?

The IUPAC name of N-(4-azido-3,3-dimethyl-2-propan-2-yloxybutyl)methanesulfonamide (CID 118241711) is N-(4-azido-3,3-dimethyl-2-propan-2-yloxybutyl)methanesulfonamide.

What is the SMILES notation for N-(4-azido-3,3-dimethyl-2-propan-2-yloxybutyl)methanesulfonamide?

The canonical SMILES for N-(4-azido-3,3-dimethyl-2-propan-2-yloxybutyl)methanesulfonamide is CC(C)OC(CNS(C)(=O)=O)C(C)(C)CN=[N+]=[N-].

What is the InChIKey of N-(4-azido-3,3-dimethyl-2-propan-2-yloxybutyl)methanesulfonamide?

The InChIKey is RGCLMLKPQSNVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O3S/c1-8(2)17-9(6-13-18(5,15)16)10(3,4)7-12-14-11/h8-9,13H,6-7H2,1-5H3.

What are the key properties of N-(4-azido-3,3-dimethyl-2-propan-2-yloxybutyl)methanesulfonamide?

N-(4-azido-3,3-dimethyl-2-propan-2-yloxybutyl)methanesulfonamide has a molecular weight of 278.38 g/mol, XLogP of 1.67, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-azido-3,3-dimethyl-2-propan-2-yloxybutyl)methanesulfonamide is sourced from PubChem (CID 118241711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 118241711 — identifiers, structure, computed properties (public domain)

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