Ethane;methanediamine;N-methylmethanamine;propan-1-amine;(sulfinatoamino)methane

C₉H₃₂N₅O₂S- — CID 158545182

About Ethane;methanediamine;N-methylmethanamine;propan-1-amine;(sulfinatoamino)methane

Ethane;methanediamine;N-methylmethanamine;propan-1-amine;(sulfinatoamino)methane (PubChem CID 158545182) has the molecular formula C₉H₃₂N₅O₂S- and a molecular weight of 274.46 g/mol. Its IUPAC name is ethane;methanediamine;N-methylmethanamine;propan-1-amine;(sulfinatoamino)methane.

Molecular Properties

• Compound Name: Ethane;methanediamine;N-methylmethanamine;propan-1-amine;(sulfinatoamino)methane
• PubChem CID: 158545182
• Molecular Formula: C₉H₃₂N₅O₂S-
• Molecular Weight: 274.46 g/mol
• Exact Mass: 274.23
• IUPAC Name: ethane;methanediamine;N-methylmethanamine;propan-1-amine;(sulfinatoamino)methane
• SMILES: CC.CCCN.CNC.CNS(=O)[O-].NCN
• InChI: InChI=1S/C3H9N.C2H7N.C2H6.CH6N2.CH5NO2S/c1-2-3-4;1-3-2;1-2;2-1-3;1-2-5(3)4/h2-4H2,1H3;3H,1-2H3;1-2H3;1-3H2;2H,1H3,(H,3,4)/p-1
• InChIKey: UKZFHIJHGMPZHX-UHFFFAOYSA-M
• XLogP: -0.92
• TPSA: 142.25 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	274.46
LogP ≤ 5	-0.92
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Ethane;methanediamine;N-methylmethanamine;propan-1-amine;(sulfinatoamino)methane?

The IUPAC name of Ethane;methanediamine;N-methylmethanamine;propan-1-amine;(sulfinatoamino)methane (CID 158545182) is ethane;methanediamine;N-methylmethanamine;propan-1-amine;(sulfinatoamino)methane.

What is the SMILES notation for Ethane;methanediamine;N-methylmethanamine;propan-1-amine;(sulfinatoamino)methane?

The canonical SMILES for Ethane;methanediamine;N-methylmethanamine;propan-1-amine;(sulfinatoamino)methane is CC.CCCN.CNC.CNS(=O)[O-].NCN.

What is the InChIKey of Ethane;methanediamine;N-methylmethanamine;propan-1-amine;(sulfinatoamino)methane?

The InChIKey is UKZFHIJHGMPZHX-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H9N.C2H7N.C2H6.CH6N2.CH5NO2S/c1-2-3-4;1-3-2;1-2;2-1-3;1-2-5(3)4/h2-4H2,1H3;3H,1-2H3;1-2H3;1-3H2;2H,1H3,(H,3,4)/p-1.

What are the key properties of Ethane;methanediamine;N-methylmethanamine;propan-1-amine;(sulfinatoamino)methane?

Ethane;methanediamine;N-methylmethanamine;propan-1-amine;(sulfinatoamino)methane has a molecular weight of 274.46 g/mol, XLogP of -0.92, 2 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for Ethane;methanediamine;N-methylmethanamine;propan-1-amine;(sulfinatoamino)methane is sourced from PubChem (CID 158545182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158545182 — identifiers, structure, computed properties (public domain)

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