2-tert-butyl-1-propylsulfonylpyrrolidine

C11H23NO2S — CID 67953202

IUPAC2-tert-butyl-1-propylsulfonylpyrrolidine
SMILESCCCS(=O)(=O)N1CCCC1C(C)(C)C
InChIInChI=1S/C11H23NO2S/c1-5-9-15(13,14)12-8-6-7-10(12)11(2,3)4/h10H,5-9H2,1-4H3
InChIKeyNSKWRQZVLIIUSS-UHFFFAOYSA-N
MW233.38 g/mol
LogP2.24
Rot. Bonds3

About 2-tert-butyl-1-propylsulfonylpyrrolidine

2-tert-butyl-1-propylsulfonylpyrrolidine (PubChem CID 67953202) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is 2-tert-butyl-1-propylsulfonylpyrrolidine.

Molecular Properties

Compound Name2-tert-butyl-1-propylsulfonylpyrrolidine
PubChem CID67953202
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC Name2-tert-butyl-1-propylsulfonylpyrrolidine
SMILESCCCS(=O)(=O)N1CCCC1C(C)(C)C
InChIInChI=1S/C11H23NO2S/c1-5-9-15(13,14)12-8-6-7-10(12)11(2,3)4/h10H,5-9H2,1-4H3
InChIKeyNSKWRQZVLIIUSS-UHFFFAOYSA-N
XLogP2.24
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-propylsulfonylpyrrolidine?
The IUPAC name of 2-tert-butyl-1-propylsulfonylpyrrolidine (CID 67953202) is 2-tert-butyl-1-propylsulfonylpyrrolidine.
What is the SMILES notation for 2-tert-butyl-1-propylsulfonylpyrrolidine?
The canonical SMILES for 2-tert-butyl-1-propylsulfonylpyrrolidine is CCCS(=O)(=O)N1CCCC1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-1-propylsulfonylpyrrolidine?
The InChIKey is NSKWRQZVLIIUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-5-9-15(13,14)12-8-6-7-10(12)11(2,3)4/h10H,5-9H2,1-4H3.
What are the key properties of 2-tert-butyl-1-propylsulfonylpyrrolidine?
2-tert-butyl-1-propylsulfonylpyrrolidine has a molecular weight of 233.38 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-propylsulfonylpyrrolidine is sourced from PubChem (CID 67953202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).