1-(2-ethoxyethylsulfonyl)pyrrolidine

C8H17NO3S — CID 62732556

IUPAC1-(2-ethoxyethylsulfonyl)pyrrolidine
SMILESCCOCCS(=O)(=O)N1CCCC1
InChIInChI=1S/C8H17NO3S/c1-2-12-7-8-13(10,11)9-5-3-4-6-9/h2-8H2,1H3
InChIKeyIMIZBEBRRCPEIK-UHFFFAOYSA-N
MW207.29 g/mol
LogP0.45
Rot. Bonds5

About 1-(2-ethoxyethylsulfonyl)pyrrolidine

1-(2-ethoxyethylsulfonyl)pyrrolidine (PubChem CID 62732556) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is 1-(2-ethoxyethylsulfonyl)pyrrolidine.

Molecular Properties

Compound Name1-(2-ethoxyethylsulfonyl)pyrrolidine
PubChem CID62732556
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Name1-(2-ethoxyethylsulfonyl)pyrrolidine
SMILESCCOCCS(=O)(=O)N1CCCC1
InChIInChI=1S/C8H17NO3S/c1-2-12-7-8-13(10,11)9-5-3-4-6-9/h2-8H2,1H3
InChIKeyIMIZBEBRRCPEIK-UHFFFAOYSA-N
XLogP0.45
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-ethoxyethylsulfonyl)pyrrolidine?
The IUPAC name of 1-(2-ethoxyethylsulfonyl)pyrrolidine (CID 62732556) is 1-(2-ethoxyethylsulfonyl)pyrrolidine.
What is the SMILES notation for 1-(2-ethoxyethylsulfonyl)pyrrolidine?
The canonical SMILES for 1-(2-ethoxyethylsulfonyl)pyrrolidine is CCOCCS(=O)(=O)N1CCCC1.
What is the InChIKey of 1-(2-ethoxyethylsulfonyl)pyrrolidine?
The InChIKey is IMIZBEBRRCPEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-2-12-7-8-13(10,11)9-5-3-4-6-9/h2-8H2,1H3.
What are the key properties of 1-(2-ethoxyethylsulfonyl)pyrrolidine?
1-(2-ethoxyethylsulfonyl)pyrrolidine has a molecular weight of 207.29 g/mol, XLogP of 0.45, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethylsulfonyl)pyrrolidine is sourced from PubChem (CID 62732556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).