4-(carbamoylamino)butoxy-dimethoxysulfanium

C₇H₁₇N₂O₄S+ — CID 151159357

About 4-(carbamoylamino)butoxy-dimethoxysulfanium

4-(carbamoylamino)butoxy-dimethoxysulfanium (PubChem CID 151159357) has the molecular formula C₇H₁₇N₂O₄S+ and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-(carbamoylamino)butoxy-dimethoxysulfanium.

Molecular Properties

• Compound Name: 4-(carbamoylamino)butoxy-dimethoxysulfanium
• PubChem CID: 151159357
• Molecular Formula: C₇H₁₇N₂O₄S+
• Molecular Weight: 225.29 g/mol
• Exact Mass: 225.09
• IUPAC Name: 4-(carbamoylamino)butoxy-dimethoxysulfanium
• SMILES: CO[S+](OC)OCCCCNC(N)=O
• InChI: InChI=1S/C7H16N2O4S/c1-11-14(12-2)13-6-4-3-5-9-7(8)10/h3-6H2,1-2H3,(H2-,8,9,10)/p+1
• InChIKey: MZXVLXZTIQCALJ-UHFFFAOYSA-O
• XLogP: 0.11
• TPSA: 82.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	225.29
LogP ≤ 5	0.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(carbamoylamino)butoxy-dimethoxysulfanium?

The IUPAC name of 4-(carbamoylamino)butoxy-dimethoxysulfanium (CID 151159357) is 4-(carbamoylamino)butoxy-dimethoxysulfanium.

What is the SMILES notation for 4-(carbamoylamino)butoxy-dimethoxysulfanium?

The canonical SMILES for 4-(carbamoylamino)butoxy-dimethoxysulfanium is CO[S+](OC)OCCCCNC(N)=O.

What is the InChIKey of 4-(carbamoylamino)butoxy-dimethoxysulfanium?

The InChIKey is MZXVLXZTIQCALJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H16N2O4S/c1-11-14(12-2)13-6-4-3-5-9-7(8)10/h3-6H2,1-2H3,(H2-,8,9,10)/p+1.

What are the key properties of 4-(carbamoylamino)butoxy-dimethoxysulfanium?

4-(carbamoylamino)butoxy-dimethoxysulfanium has a molecular weight of 225.29 g/mol, XLogP of 0.11, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(carbamoylamino)butoxy-dimethoxysulfanium is sourced from PubChem (CID 151159357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 151159357 — identifiers, structure, computed properties (public domain)

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