1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride

C10H19FN2O5S — CID 168714856

IUPAC1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESNCCOCCOCCN1CC(S(=O)(=O)F)CC1=O
InChIInChI=1S/C10H19FN2O5S/c11-19(15,16)9-7-10(14)13(8-9)2-4-18-6-5-17-3-1-12/h9H,1-8,12H2
InChIKeyHPTANNOBYLWGHT-UHFFFAOYSA-N
MW298.34 g/mol
LogP-1.12
Rot. Bonds9

About 1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride

1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride (PubChem CID 168714856) has the molecular formula C10H19FN2O5S and a molecular weight of 298.34 g/mol. Its IUPAC name is 1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
PubChem CID168714856
Molecular FormulaC10H19FN2O5S
Molecular Weight298.34 g/mol
Exact Mass298.10
IUPAC Name1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESNCCOCCOCCN1CC(S(=O)(=O)F)CC1=O
InChIInChI=1S/C10H19FN2O5S/c11-19(15,16)9-7-10(14)13(8-9)2-4-18-6-5-17-3-1-12/h9H,1-8,12H2
InChIKeyHPTANNOBYLWGHT-UHFFFAOYSA-N
XLogP-1.12
TPSA98.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 5-1.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride (CID 168714856) is 1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride is NCCOCCOCCN1CC(S(=O)(=O)F)CC1=O.
What is the InChIKey of 1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride?
The InChIKey is HPTANNOBYLWGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FN2O5S/c11-19(15,16)9-7-10(14)13(8-9)2-4-18-6-5-17-3-1-12/h9H,1-8,12H2.
What are the key properties of 1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride?
1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride has a molecular weight of 298.34 g/mol, XLogP of -1.12, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168714856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).