3-(furan-2-yl)-1-[2-(2-methoxyethoxy)ethylsulfonyl]pyrrolidine

C13H21NO5S — CID 110612213

IUPAC3-(furan-2-yl)-1-[2-(2-methoxyethoxy)ethylsulfonyl]pyrrolidine
SMILESCOCCOCCS(=O)(=O)N1CCC(c2ccco2)C1
InChIInChI=1S/C13H21NO5S/c1-17-7-8-18-9-10-20(15,16)14-5-4-12(11-14)13-3-2-6-19-13/h2-3,6,12H,4-5,7-11H2,1H3
InChIKeyGXMYNMBOBCWKIE-UHFFFAOYSA-N
MW303.38 g/mol
LogP1.06
Rot. Bonds8

About 3-(furan-2-yl)-1-[2-(2-methoxyethoxy)ethylsulfonyl]pyrrolidine

3-(furan-2-yl)-1-[2-(2-methoxyethoxy)ethylsulfonyl]pyrrolidine (PubChem CID 110612213) has the molecular formula C13H21NO5S and a molecular weight of 303.38 g/mol. Its IUPAC name is 3-(furan-2-yl)-1-[2-(2-methoxyethoxy)ethylsulfonyl]pyrrolidine.

Molecular Properties

Compound Name3-(furan-2-yl)-1-[2-(2-methoxyethoxy)ethylsulfonyl]pyrrolidine
PubChem CID110612213
Molecular FormulaC13H21NO5S
Molecular Weight303.38 g/mol
Exact Mass303.11
IUPAC Name3-(furan-2-yl)-1-[2-(2-methoxyethoxy)ethylsulfonyl]pyrrolidine
SMILESCOCCOCCS(=O)(=O)N1CCC(c2ccco2)C1
InChIInChI=1S/C13H21NO5S/c1-17-7-8-18-9-10-20(15,16)14-5-4-12(11-14)13-3-2-6-19-13/h2-3,6,12H,4-5,7-11H2,1H3
InChIKeyGXMYNMBOBCWKIE-UHFFFAOYSA-N
XLogP1.06
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 3-(furan-2-yl)-1-[2-(2-methoxyethoxy)ethylsulfonyl]pyrrolidine?
The IUPAC name of 3-(furan-2-yl)-1-[2-(2-methoxyethoxy)ethylsulfonyl]pyrrolidine (CID 110612213) is 3-(furan-2-yl)-1-[2-(2-methoxyethoxy)ethylsulfonyl]pyrrolidine.
What is the SMILES notation for 3-(furan-2-yl)-1-[2-(2-methoxyethoxy)ethylsulfonyl]pyrrolidine?
The canonical SMILES for 3-(furan-2-yl)-1-[2-(2-methoxyethoxy)ethylsulfonyl]pyrrolidine is COCCOCCS(=O)(=O)N1CCC(c2ccco2)C1.
What is the InChIKey of 3-(furan-2-yl)-1-[2-(2-methoxyethoxy)ethylsulfonyl]pyrrolidine?
The InChIKey is GXMYNMBOBCWKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO5S/c1-17-7-8-18-9-10-20(15,16)14-5-4-12(11-14)13-3-2-6-19-13/h2-3,6,12H,4-5,7-11H2,1H3.
What are the key properties of 3-(furan-2-yl)-1-[2-(2-methoxyethoxy)ethylsulfonyl]pyrrolidine?
3-(furan-2-yl)-1-[2-(2-methoxyethoxy)ethylsulfonyl]pyrrolidine has a molecular weight of 303.38 g/mol, XLogP of 1.06, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-1-[2-(2-methoxyethoxy)ethylsulfonyl]pyrrolidine is sourced from PubChem (CID 110612213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).