2-ethyl-5-methyl-1-pyrrolidin-3-ylsulfonylpyrrolidine

C11H22N2O2S — CID 83224184

IUPAC2-ethyl-5-methyl-1-pyrrolidin-3-ylsulfonylpyrrolidine
SMILESCCC1CCC(C)N1S(=O)(=O)C1CCNC1
InChIInChI=1S/C11H22N2O2S/c1-3-10-5-4-9(2)13(10)16(14,15)11-6-7-12-8-11/h9-12H,3-8H2,1-2H3
InChIKeyDORMNJZRNZPUQJ-UHFFFAOYSA-N
MW246.38 g/mol
LogP0.94
Rot. Bonds3

About 2-ethyl-5-methyl-1-pyrrolidin-3-ylsulfonylpyrrolidine

2-ethyl-5-methyl-1-pyrrolidin-3-ylsulfonylpyrrolidine (PubChem CID 83224184) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 2-ethyl-5-methyl-1-pyrrolidin-3-ylsulfonylpyrrolidine.

Molecular Properties

Compound Name2-ethyl-5-methyl-1-pyrrolidin-3-ylsulfonylpyrrolidine
PubChem CID83224184
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC Name2-ethyl-5-methyl-1-pyrrolidin-3-ylsulfonylpyrrolidine
SMILESCCC1CCC(C)N1S(=O)(=O)C1CCNC1
InChIInChI=1S/C11H22N2O2S/c1-3-10-5-4-9(2)13(10)16(14,15)11-6-7-12-8-11/h9-12H,3-8H2,1-2H3
InChIKeyDORMNJZRNZPUQJ-UHFFFAOYSA-N
XLogP0.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methyl-1-pyrrolidin-3-ylsulfonylpyrrolidine?
The IUPAC name of 2-ethyl-5-methyl-1-pyrrolidin-3-ylsulfonylpyrrolidine (CID 83224184) is 2-ethyl-5-methyl-1-pyrrolidin-3-ylsulfonylpyrrolidine.
What is the SMILES notation for 2-ethyl-5-methyl-1-pyrrolidin-3-ylsulfonylpyrrolidine?
The canonical SMILES for 2-ethyl-5-methyl-1-pyrrolidin-3-ylsulfonylpyrrolidine is CCC1CCC(C)N1S(=O)(=O)C1CCNC1.
What is the InChIKey of 2-ethyl-5-methyl-1-pyrrolidin-3-ylsulfonylpyrrolidine?
The InChIKey is DORMNJZRNZPUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S/c1-3-10-5-4-9(2)13(10)16(14,15)11-6-7-12-8-11/h9-12H,3-8H2,1-2H3.
What are the key properties of 2-ethyl-5-methyl-1-pyrrolidin-3-ylsulfonylpyrrolidine?
2-ethyl-5-methyl-1-pyrrolidin-3-ylsulfonylpyrrolidine has a molecular weight of 246.38 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-methyl-1-pyrrolidin-3-ylsulfonylpyrrolidine is sourced from PubChem (CID 83224184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).