1-(2-ethoxyethylsulfonyl)-2-pyrrolidin-2-ylpyrrolidine

C12H24N2O3S — CID 63246941

IUPAC1-(2-ethoxyethylsulfonyl)-2-pyrrolidin-2-ylpyrrolidine
SMILESCCOCCS(=O)(=O)N1CCCC1C1CCCN1
InChIInChI=1S/C12H24N2O3S/c1-2-17-9-10-18(15,16)14-8-4-6-12(14)11-5-3-7-13-11/h11-13H,2-10H2,1H3
InChIKeyWNQIPPYSULOWEZ-UHFFFAOYSA-N
MW276.40 g/mol
LogP0.57
Rot. Bonds6

About 1-(2-ethoxyethylsulfonyl)-2-pyrrolidin-2-ylpyrrolidine

1-(2-ethoxyethylsulfonyl)-2-pyrrolidin-2-ylpyrrolidine (PubChem CID 63246941) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is 1-(2-ethoxyethylsulfonyl)-2-pyrrolidin-2-ylpyrrolidine.

Molecular Properties

Compound Name1-(2-ethoxyethylsulfonyl)-2-pyrrolidin-2-ylpyrrolidine
PubChem CID63246941
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC Name1-(2-ethoxyethylsulfonyl)-2-pyrrolidin-2-ylpyrrolidine
SMILESCCOCCS(=O)(=O)N1CCCC1C1CCCN1
InChIInChI=1S/C12H24N2O3S/c1-2-17-9-10-18(15,16)14-8-4-6-12(14)11-5-3-7-13-11/h11-13H,2-10H2,1H3
InChIKeyWNQIPPYSULOWEZ-UHFFFAOYSA-N
XLogP0.57
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(2-ethoxyethylsulfonyl)-2-pyrrolidin-2-ylpyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethylsulfonyl)-2-pyrrolidin-2-ylpyrrolidine?
The IUPAC name of 1-(2-ethoxyethylsulfonyl)-2-pyrrolidin-2-ylpyrrolidine (CID 63246941) is 1-(2-ethoxyethylsulfonyl)-2-pyrrolidin-2-ylpyrrolidine.
What is the SMILES notation for 1-(2-ethoxyethylsulfonyl)-2-pyrrolidin-2-ylpyrrolidine?
The canonical SMILES for 1-(2-ethoxyethylsulfonyl)-2-pyrrolidin-2-ylpyrrolidine is CCOCCS(=O)(=O)N1CCCC1C1CCCN1.
What is the InChIKey of 1-(2-ethoxyethylsulfonyl)-2-pyrrolidin-2-ylpyrrolidine?
The InChIKey is WNQIPPYSULOWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-2-17-9-10-18(15,16)14-8-4-6-12(14)11-5-3-7-13-11/h11-13H,2-10H2,1H3.
What are the key properties of 1-(2-ethoxyethylsulfonyl)-2-pyrrolidin-2-ylpyrrolidine?
1-(2-ethoxyethylsulfonyl)-2-pyrrolidin-2-ylpyrrolidine has a molecular weight of 276.40 g/mol, XLogP of 0.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethylsulfonyl)-2-pyrrolidin-2-ylpyrrolidine is sourced from PubChem (CID 63246941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).