3-ethyl-4-(methylsulfonylmethyl)pyrrolidine

C8H17NO2S — CID 58091817

IUPAC3-ethyl-4-(methylsulfonylmethyl)pyrrolidine
SMILESCCC1CNCC1CS(C)(=O)=O
InChIInChI=1S/C8H17NO2S/c1-3-7-4-9-5-8(7)6-12(2,10)11/h7-9H,3-6H2,1-2H3
InChIKeyVOHTZZPBLHTASG-UHFFFAOYSA-N
MW191.30 g/mol
LogP0.28
Rot. Bonds3

About 3-ethyl-4-(methylsulfonylmethyl)pyrrolidine

3-ethyl-4-(methylsulfonylmethyl)pyrrolidine (PubChem CID 58091817) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is 3-ethyl-4-(methylsulfonylmethyl)pyrrolidine.

Molecular Properties

Compound Name3-ethyl-4-(methylsulfonylmethyl)pyrrolidine
PubChem CID58091817
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Name3-ethyl-4-(methylsulfonylmethyl)pyrrolidine
SMILESCCC1CNCC1CS(C)(=O)=O
InChIInChI=1S/C8H17NO2S/c1-3-7-4-9-5-8(7)6-12(2,10)11/h7-9H,3-6H2,1-2H3
InChIKeyVOHTZZPBLHTASG-UHFFFAOYSA-N
XLogP0.28
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(methylsulfonylmethyl)pyrrolidine?
The IUPAC name of 3-ethyl-4-(methylsulfonylmethyl)pyrrolidine (CID 58091817) is 3-ethyl-4-(methylsulfonylmethyl)pyrrolidine.
What is the SMILES notation for 3-ethyl-4-(methylsulfonylmethyl)pyrrolidine?
The canonical SMILES for 3-ethyl-4-(methylsulfonylmethyl)pyrrolidine is CCC1CNCC1CS(C)(=O)=O.
What is the InChIKey of 3-ethyl-4-(methylsulfonylmethyl)pyrrolidine?
The InChIKey is VOHTZZPBLHTASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-3-7-4-9-5-8(7)6-12(2,10)11/h7-9H,3-6H2,1-2H3.
What are the key properties of 3-ethyl-4-(methylsulfonylmethyl)pyrrolidine?
3-ethyl-4-(methylsulfonylmethyl)pyrrolidine has a molecular weight of 191.30 g/mol, XLogP of 0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(methylsulfonylmethyl)pyrrolidine is sourced from PubChem (CID 58091817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).