1-ethylsulfonyl-3-methylpyrrolidine

C7H15NO2S — CID 62735012

IUPAC1-ethylsulfonyl-3-methylpyrrolidine
SMILESCCS(=O)(=O)N1CCC(C)C1
InChIInChI=1S/C7H15NO2S/c1-3-11(9,10)8-5-4-7(2)6-8/h7H,3-6H2,1-2H3
InChIKeySVXPLGGJRDEHJJ-UHFFFAOYSA-N
MW177.27 g/mol
LogP0.68
Rot. Bonds2

About 1-ethylsulfonyl-3-methylpyrrolidine

1-ethylsulfonyl-3-methylpyrrolidine (PubChem CID 62735012) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is 1-ethylsulfonyl-3-methylpyrrolidine.

Molecular Properties

Compound Name1-ethylsulfonyl-3-methylpyrrolidine
PubChem CID62735012
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC Name1-ethylsulfonyl-3-methylpyrrolidine
SMILESCCS(=O)(=O)N1CCC(C)C1
InChIInChI=1S/C7H15NO2S/c1-3-11(9,10)8-5-4-7(2)6-8/h7H,3-6H2,1-2H3
InChIKeySVXPLGGJRDEHJJ-UHFFFAOYSA-N
XLogP0.68
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-3-methylpyrrolidine?
The IUPAC name of 1-ethylsulfonyl-3-methylpyrrolidine (CID 62735012) is 1-ethylsulfonyl-3-methylpyrrolidine.
What is the SMILES notation for 1-ethylsulfonyl-3-methylpyrrolidine?
The canonical SMILES for 1-ethylsulfonyl-3-methylpyrrolidine is CCS(=O)(=O)N1CCC(C)C1.
What is the InChIKey of 1-ethylsulfonyl-3-methylpyrrolidine?
The InChIKey is SVXPLGGJRDEHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2S/c1-3-11(9,10)8-5-4-7(2)6-8/h7H,3-6H2,1-2H3.
What are the key properties of 1-ethylsulfonyl-3-methylpyrrolidine?
1-ethylsulfonyl-3-methylpyrrolidine has a molecular weight of 177.27 g/mol, XLogP of 0.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-3-methylpyrrolidine is sourced from PubChem (CID 62735012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).