3-propan-2-ylsulfonylpyrrolidine

C7H15NO2S — CID 71777939

IUPAC3-propan-2-ylsulfonylpyrrolidine
SMILESCC(C)S(=O)(=O)C1CCNC1
InChIInChI=1S/C7H15NO2S/c1-6(2)11(9,10)7-3-4-8-5-7/h6-8H,3-5H2,1-2H3
InChIKeyNPQVPIJXGICUEI-UHFFFAOYSA-N
MW177.27 g/mol
LogP0.17
Rot. Bonds2

About 3-propan-2-ylsulfonylpyrrolidine

3-propan-2-ylsulfonylpyrrolidine (PubChem CID 71777939) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is 3-propan-2-ylsulfonylpyrrolidine.

Molecular Properties

Compound Name3-propan-2-ylsulfonylpyrrolidine
PubChem CID71777939
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC Name3-propan-2-ylsulfonylpyrrolidine
SMILESCC(C)S(=O)(=O)C1CCNC1
InChIInChI=1S/C7H15NO2S/c1-6(2)11(9,10)7-3-4-8-5-7/h6-8H,3-5H2,1-2H3
InChIKeyNPQVPIJXGICUEI-UHFFFAOYSA-N
XLogP0.17
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-ylsulfonylpyrrolidine?
The IUPAC name of 3-propan-2-ylsulfonylpyrrolidine (CID 71777939) is 3-propan-2-ylsulfonylpyrrolidine.
What is the SMILES notation for 3-propan-2-ylsulfonylpyrrolidine?
The canonical SMILES for 3-propan-2-ylsulfonylpyrrolidine is CC(C)S(=O)(=O)C1CCNC1.
What is the InChIKey of 3-propan-2-ylsulfonylpyrrolidine?
The InChIKey is NPQVPIJXGICUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2S/c1-6(2)11(9,10)7-3-4-8-5-7/h6-8H,3-5H2,1-2H3.
What are the key properties of 3-propan-2-ylsulfonylpyrrolidine?
3-propan-2-ylsulfonylpyrrolidine has a molecular weight of 177.27 g/mol, XLogP of 0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-ylsulfonylpyrrolidine is sourced from PubChem (CID 71777939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).