[1-ethyl-2-(ethylsulfonylmethyl)indol-5-yl]methanamine

C₁₄H₂₀N₂O₂S — CID 117177027

About [1-ethyl-2-(ethylsulfonylmethyl)indol-5-yl]methanamine

[1-ethyl-2-(ethylsulfonylmethyl)indol-5-yl]methanamine (PubChem CID 117177027) has the molecular formula C₁₄H₂₀N₂O₂S and a molecular weight of 280.39 g/mol. Its IUPAC name is [1-ethyl-2-(ethylsulfonylmethyl)indol-5-yl]methanamine.

Molecular Properties

• Compound Name: [1-ethyl-2-(ethylsulfonylmethyl)indol-5-yl]methanamine
• PubChem CID: 117177027
• Molecular Formula: C₁₄H₂₀N₂O₂S
• Molecular Weight: 280.39 g/mol
• Exact Mass: 280.12
• IUPAC Name: [1-ethyl-2-(ethylsulfonylmethyl)indol-5-yl]methanamine
• SMILES: CCn1c(CS(=O)(=O)CC)cc2cc(CN)ccc21
• InChI: InChI=1S/C14H20N2O2S/c1-3-16-13(10-19(17,18)4-2)8-12-7-11(9-15)5-6-14(12)16/h5-8H,3-4,9-10,15H2,1-2H3
• InChIKey: KPSVASLXGNTZQG-UHFFFAOYSA-N
• XLogP: 2.05
• TPSA: 65.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	280.39
LogP ≤ 5	2.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [1-ethyl-2-(ethylsulfonylmethyl)indol-5-yl]methanamine?

The IUPAC name of [1-ethyl-2-(ethylsulfonylmethyl)indol-5-yl]methanamine (CID 117177027) is [1-ethyl-2-(ethylsulfonylmethyl)indol-5-yl]methanamine.

What is the SMILES notation for [1-ethyl-2-(ethylsulfonylmethyl)indol-5-yl]methanamine?

The canonical SMILES for [1-ethyl-2-(ethylsulfonylmethyl)indol-5-yl]methanamine is CCn1c(CS(=O)(=O)CC)cc2cc(CN)ccc21.

What is the InChIKey of [1-ethyl-2-(ethylsulfonylmethyl)indol-5-yl]methanamine?

The InChIKey is KPSVASLXGNTZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-3-16-13(10-19(17,18)4-2)8-12-7-11(9-15)5-6-14(12)16/h5-8H,3-4,9-10,15H2,1-2H3.

What are the key properties of [1-ethyl-2-(ethylsulfonylmethyl)indol-5-yl]methanamine?

[1-ethyl-2-(ethylsulfonylmethyl)indol-5-yl]methanamine has a molecular weight of 280.39 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [1-ethyl-2-(ethylsulfonylmethyl)indol-5-yl]methanamine is sourced from PubChem (CID 117177027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 117177027 — identifiers, structure, computed properties (public domain)

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