N-[[2-(aminomethyl)cyclohexyl]methylsulfamoyl]-2,2,2-trifluoroethanamine

C₁₀H₂₀F₃N₃O₂S — CID 114812835

About N-[[2-(aminomethyl)cyclohexyl]methylsulfamoyl]-2,2,2-trifluoroethanamine

N-[[2-(aminomethyl)cyclohexyl]methylsulfamoyl]-2,2,2-trifluoroethanamine (PubChem CID 114812835) has the molecular formula C₁₀H₂₀F₃N₃O₂S and a molecular weight of 303.35 g/mol. Its IUPAC name is N-[[2-(aminomethyl)cyclohexyl]methylsulfamoyl]-2,2,2-trifluoroethanamine.

Molecular Properties

• Compound Name: N-[[2-(aminomethyl)cyclohexyl]methylsulfamoyl]-2,2,2-trifluoroethanamine
• PubChem CID: 114812835
• Molecular Formula: C₁₀H₂₀F₃N₃O₂S
• Molecular Weight: 303.35 g/mol
• Exact Mass: 303.12
• IUPAC Name: N-[[2-(aminomethyl)cyclohexyl]methylsulfamoyl]-2,2,2-trifluoroethanamine
• SMILES: NCC1CCCCC1CNS(=O)(=O)NCC(F)(F)F
• InChI: InChI=1S/C10H20F3N3O2S/c11-10(12,13)7-16-19(17,18)15-6-9-4-2-1-3-8(9)5-14/h8-9,15-16H,1-7,14H2
• InChIKey: OFVZYAMNUUKLDU-UHFFFAOYSA-N
• XLogP: 0.74
• TPSA: 84.22 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	303.35
LogP ≤ 5	0.74
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)cyclohexyl]methylsulfamoyl]-2,2,2-trifluoroethanamine?

The IUPAC name of N-[[2-(aminomethyl)cyclohexyl]methylsulfamoyl]-2,2,2-trifluoroethanamine (CID 114812835) is N-[[2-(aminomethyl)cyclohexyl]methylsulfamoyl]-2,2,2-trifluoroethanamine.

What is the SMILES notation for N-[[2-(aminomethyl)cyclohexyl]methylsulfamoyl]-2,2,2-trifluoroethanamine?

The canonical SMILES for N-[[2-(aminomethyl)cyclohexyl]methylsulfamoyl]-2,2,2-trifluoroethanamine is NCC1CCCCC1CNS(=O)(=O)NCC(F)(F)F.

What is the InChIKey of N-[[2-(aminomethyl)cyclohexyl]methylsulfamoyl]-2,2,2-trifluoroethanamine?

The InChIKey is OFVZYAMNUUKLDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3N3O2S/c11-10(12,13)7-16-19(17,18)15-6-9-4-2-1-3-8(9)5-14/h8-9,15-16H,1-7,14H2.

What are the key properties of N-[[2-(aminomethyl)cyclohexyl]methylsulfamoyl]-2,2,2-trifluoroethanamine?

N-[[2-(aminomethyl)cyclohexyl]methylsulfamoyl]-2,2,2-trifluoroethanamine has a molecular weight of 303.35 g/mol, XLogP of 0.74, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[2-(aminomethyl)cyclohexyl]methylsulfamoyl]-2,2,2-trifluoroethanamine is sourced from PubChem (CID 114812835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 114812835 — identifiers, structure, computed properties (public domain)

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