3-ethyl-2-(3-ethylsulfonylthiomorpholin-4-yl)pentan-1-amine

C₁₃H₂₈N₂O₂S₂ — CID 66381953

About 3-ethyl-2-(3-ethylsulfonylthiomorpholin-4-yl)pentan-1-amine

3-ethyl-2-(3-ethylsulfonylthiomorpholin-4-yl)pentan-1-amine (PubChem CID 66381953) has the molecular formula C₁₃H₂₈N₂O₂S₂ and a molecular weight of 308.51 g/mol. Its IUPAC name is 3-ethyl-2-(3-ethylsulfonylthiomorpholin-4-yl)pentan-1-amine.

Molecular Properties

• Compound Name: 3-ethyl-2-(3-ethylsulfonylthiomorpholin-4-yl)pentan-1-amine
• PubChem CID: 66381953
• Molecular Formula: C₁₃H₂₈N₂O₂S₂
• Molecular Weight: 308.51 g/mol
• Exact Mass: 308.16
• IUPAC Name: 3-ethyl-2-(3-ethylsulfonylthiomorpholin-4-yl)pentan-1-amine
• SMILES: CCC(CC)C(CN)N1CCSCC1S(=O)(=O)CC
• InChI: InChI=1S/C13H28N2O2S2/c1-4-11(5-2)12(9-14)15-7-8-18-10-13(15)19(16,17)6-3/h11-13H,4-10,14H2,1-3H3
• InChIKey: MINCJYWGENXTKC-UHFFFAOYSA-N
• XLogP: 1.56
• TPSA: 63.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	308.51
LogP ≤ 5	1.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(3-ethylsulfonylthiomorpholin-4-yl)pentan-1-amine?

The IUPAC name of 3-ethyl-2-(3-ethylsulfonylthiomorpholin-4-yl)pentan-1-amine (CID 66381953) is 3-ethyl-2-(3-ethylsulfonylthiomorpholin-4-yl)pentan-1-amine.

What is the SMILES notation for 3-ethyl-2-(3-ethylsulfonylthiomorpholin-4-yl)pentan-1-amine?

The canonical SMILES for 3-ethyl-2-(3-ethylsulfonylthiomorpholin-4-yl)pentan-1-amine is CCC(CC)C(CN)N1CCSCC1S(=O)(=O)CC.

What is the InChIKey of 3-ethyl-2-(3-ethylsulfonylthiomorpholin-4-yl)pentan-1-amine?

The InChIKey is MINCJYWGENXTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2S2/c1-4-11(5-2)12(9-14)15-7-8-18-10-13(15)19(16,17)6-3/h11-13H,4-10,14H2,1-3H3.

What are the key properties of 3-ethyl-2-(3-ethylsulfonylthiomorpholin-4-yl)pentan-1-amine?

3-ethyl-2-(3-ethylsulfonylthiomorpholin-4-yl)pentan-1-amine has a molecular weight of 308.51 g/mol, XLogP of 1.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-ethyl-2-(3-ethylsulfonylthiomorpholin-4-yl)pentan-1-amine is sourced from PubChem (CID 66381953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 66381953 — identifiers, structure, computed properties (public domain)

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