1-ethenylsulfonylpyrrolidine

C6H11NO2S — CID 15914515

IUPAC1-ethenylsulfonylpyrrolidine
SMILESC=CS(=O)(=O)N1CCCC1
InChIInChI=1S/C6H11NO2S/c1-2-10(8,9)7-5-3-4-6-7/h2H,1,3-6H2
InChIKeyMZRYWKDCEDIJKR-UHFFFAOYSA-N
MW161.23 g/mol
LogP0.56
Rot. Bonds2

About 1-ethenylsulfonylpyrrolidine

1-ethenylsulfonylpyrrolidine (PubChem CID 15914515) has the molecular formula C6H11NO2S and a molecular weight of 161.23 g/mol. Its IUPAC name is 1-ethenylsulfonylpyrrolidine.

Molecular Properties

Compound Name1-ethenylsulfonylpyrrolidine
PubChem CID15914515
Molecular FormulaC6H11NO2S
Molecular Weight161.23 g/mol
Exact Mass161.05
IUPAC Name1-ethenylsulfonylpyrrolidine
SMILESC=CS(=O)(=O)N1CCCC1
InChIInChI=1S/C6H11NO2S/c1-2-10(8,9)7-5-3-4-6-7/h2H,1,3-6H2
InChIKeyMZRYWKDCEDIJKR-UHFFFAOYSA-N
XLogP0.56
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.23
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethenylsulfonylpyrrolidine?
The IUPAC name of 1-ethenylsulfonylpyrrolidine (CID 15914515) is 1-ethenylsulfonylpyrrolidine.
What is the SMILES notation for 1-ethenylsulfonylpyrrolidine?
The canonical SMILES for 1-ethenylsulfonylpyrrolidine is C=CS(=O)(=O)N1CCCC1.
What is the InChIKey of 1-ethenylsulfonylpyrrolidine?
The InChIKey is MZRYWKDCEDIJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2S/c1-2-10(8,9)7-5-3-4-6-7/h2H,1,3-6H2.
What are the key properties of 1-ethenylsulfonylpyrrolidine?
1-ethenylsulfonylpyrrolidine has a molecular weight of 161.23 g/mol, XLogP of 0.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylsulfonylpyrrolidine is sourced from PubChem (CID 15914515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).