N-(5-hydroxypentyl)-2-methoxy-N-methylethanesulfonamide

C₉H₂₁NO₄S — CID 107203008

About N-(5-hydroxypentyl)-2-methoxy-N-methylethanesulfonamide

N-(5-hydroxypentyl)-2-methoxy-N-methylethanesulfonamide (PubChem CID 107203008) has the molecular formula C₉H₂₁NO₄S and a molecular weight of 239.34 g/mol. Its IUPAC name is N-(5-hydroxypentyl)-2-methoxy-N-methylethanesulfonamide.

Molecular Properties

• Compound Name: N-(5-hydroxypentyl)-2-methoxy-N-methylethanesulfonamide
• PubChem CID: 107203008
• Molecular Formula: C₉H₂₁NO₄S
• Molecular Weight: 239.34 g/mol
• Exact Mass: 239.12
• IUPAC Name: N-(5-hydroxypentyl)-2-methoxy-N-methylethanesulfonamide
• SMILES: COCCS(=O)(=O)N(C)CCCCCO
• InChI: InChI=1S/C9H21NO4S/c1-10(6-4-3-5-7-11)15(12,13)9-8-14-2/h11H,3-9H2,1-2H3
• InChIKey: MEGKZBKPMNZGSX-UHFFFAOYSA-N
• XLogP: 0.06
• TPSA: 66.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	239.34
LogP ≤ 5	0.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxypentyl)-2-methoxy-N-methylethanesulfonamide?

The IUPAC name of N-(5-hydroxypentyl)-2-methoxy-N-methylethanesulfonamide (CID 107203008) is N-(5-hydroxypentyl)-2-methoxy-N-methylethanesulfonamide.

What is the SMILES notation for N-(5-hydroxypentyl)-2-methoxy-N-methylethanesulfonamide?

The canonical SMILES for N-(5-hydroxypentyl)-2-methoxy-N-methylethanesulfonamide is COCCS(=O)(=O)N(C)CCCCCO.

What is the InChIKey of N-(5-hydroxypentyl)-2-methoxy-N-methylethanesulfonamide?

The InChIKey is MEGKZBKPMNZGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO4S/c1-10(6-4-3-5-7-11)15(12,13)9-8-14-2/h11H,3-9H2,1-2H3.

What are the key properties of N-(5-hydroxypentyl)-2-methoxy-N-methylethanesulfonamide?

N-(5-hydroxypentyl)-2-methoxy-N-methylethanesulfonamide has a molecular weight of 239.34 g/mol, XLogP of 0.06, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-hydroxypentyl)-2-methoxy-N-methylethanesulfonamide is sourced from PubChem (CID 107203008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 107203008 — identifiers, structure, computed properties (public domain)

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