2-ethyl-5-methyl-1-methylsulfonylpyrrolidine

C8H17NO2S — CID 21134228

IUPAC2-ethyl-5-methyl-1-methylsulfonylpyrrolidine
SMILESCCC1CCC(C)N1S(C)(=O)=O
InChIInChI=1S/C8H17NO2S/c1-4-8-6-5-7(2)9(8)12(3,10)11/h7-8H,4-6H2,1-3H3
InChIKeyUMJCSTZZJQNHCD-UHFFFAOYSA-N
MW191.30 g/mol
LogP1.21
Rot. Bonds2

About 2-ethyl-5-methyl-1-methylsulfonylpyrrolidine

2-ethyl-5-methyl-1-methylsulfonylpyrrolidine (PubChem CID 21134228) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is 2-ethyl-5-methyl-1-methylsulfonylpyrrolidine.

Molecular Properties

Compound Name2-ethyl-5-methyl-1-methylsulfonylpyrrolidine
PubChem CID21134228
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Name2-ethyl-5-methyl-1-methylsulfonylpyrrolidine
SMILESCCC1CCC(C)N1S(C)(=O)=O
InChIInChI=1S/C8H17NO2S/c1-4-8-6-5-7(2)9(8)12(3,10)11/h7-8H,4-6H2,1-3H3
InChIKeyUMJCSTZZJQNHCD-UHFFFAOYSA-N
XLogP1.21
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methyl-1-methylsulfonylpyrrolidine?
The IUPAC name of 2-ethyl-5-methyl-1-methylsulfonylpyrrolidine (CID 21134228) is 2-ethyl-5-methyl-1-methylsulfonylpyrrolidine.
What is the SMILES notation for 2-ethyl-5-methyl-1-methylsulfonylpyrrolidine?
The canonical SMILES for 2-ethyl-5-methyl-1-methylsulfonylpyrrolidine is CCC1CCC(C)N1S(C)(=O)=O.
What is the InChIKey of 2-ethyl-5-methyl-1-methylsulfonylpyrrolidine?
The InChIKey is UMJCSTZZJQNHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-4-8-6-5-7(2)9(8)12(3,10)11/h7-8H,4-6H2,1-3H3.
What are the key properties of 2-ethyl-5-methyl-1-methylsulfonylpyrrolidine?
2-ethyl-5-methyl-1-methylsulfonylpyrrolidine has a molecular weight of 191.30 g/mol, XLogP of 1.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-methyl-1-methylsulfonylpyrrolidine is sourced from PubChem (CID 21134228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).