N-ethyl-N-methyl-1,4-diazepane-1-sulfonamide

C₈H₁₉N₃O₂S — CID 43263562

About N-ethyl-N-methyl-1,4-diazepane-1-sulfonamide

N-ethyl-N-methyl-1,4-diazepane-1-sulfonamide (PubChem CID 43263562) has the molecular formula C₈H₁₉N₃O₂S and a molecular weight of 221.33 g/mol. Its IUPAC name is N-ethyl-N-methyl-1,4-diazepane-1-sulfonamide.

Molecular Properties

• Compound Name: N-ethyl-N-methyl-1,4-diazepane-1-sulfonamide
• PubChem CID: 43263562
• Molecular Formula: C₈H₁₉N₃O₂S
• Molecular Weight: 221.33 g/mol
• Exact Mass: 221.12
• IUPAC Name: N-ethyl-N-methyl-1,4-diazepane-1-sulfonamide
• SMILES: CCN(C)S(=O)(=O)N1CCCNCC1
• InChI: InChI=1S/C8H19N3O2S/c1-3-10(2)14(12,13)11-7-4-5-9-6-8-11/h9H,3-8H2,1-2H3
• InChIKey: MDHXWUVIQFWYPW-UHFFFAOYSA-N
• XLogP: -0.52
• TPSA: 52.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	221.33
LogP ≤ 5	-0.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-1,4-diazepane-1-sulfonamide?

The IUPAC name of N-ethyl-N-methyl-1,4-diazepane-1-sulfonamide (CID 43263562) is N-ethyl-N-methyl-1,4-diazepane-1-sulfonamide.

What is the SMILES notation for N-ethyl-N-methyl-1,4-diazepane-1-sulfonamide?

The canonical SMILES for N-ethyl-N-methyl-1,4-diazepane-1-sulfonamide is CCN(C)S(=O)(=O)N1CCCNCC1.

What is the InChIKey of N-ethyl-N-methyl-1,4-diazepane-1-sulfonamide?

The InChIKey is MDHXWUVIQFWYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O2S/c1-3-10(2)14(12,13)11-7-4-5-9-6-8-11/h9H,3-8H2,1-2H3.

What are the key properties of N-ethyl-N-methyl-1,4-diazepane-1-sulfonamide?

N-ethyl-N-methyl-1,4-diazepane-1-sulfonamide has a molecular weight of 221.33 g/mol, XLogP of -0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethyl-N-methyl-1,4-diazepane-1-sulfonamide is sourced from PubChem (CID 43263562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 43263562 — identifiers, structure, computed properties (public domain)

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