1-(2-propan-2-ylsulfonylethyl)pyrrolidine

C9H19NO2S — CID 23570729

IUPAC1-(2-propan-2-ylsulfonylethyl)pyrrolidine
SMILESCC(C)S(=O)(=O)CCN1CCCC1
InChIInChI=1S/C9H19NO2S/c1-9(2)13(11,12)8-7-10-5-3-4-6-10/h9H,3-8H2,1-2H3
InChIKeyMAOSXZACSCOTQY-UHFFFAOYSA-N
MW205.32 g/mol
LogP0.91
Rot. Bonds4

About 1-(2-propan-2-ylsulfonylethyl)pyrrolidine

1-(2-propan-2-ylsulfonylethyl)pyrrolidine (PubChem CID 23570729) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is 1-(2-propan-2-ylsulfonylethyl)pyrrolidine.

Molecular Properties

Compound Name1-(2-propan-2-ylsulfonylethyl)pyrrolidine
PubChem CID23570729
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Name1-(2-propan-2-ylsulfonylethyl)pyrrolidine
SMILESCC(C)S(=O)(=O)CCN1CCCC1
InChIInChI=1S/C9H19NO2S/c1-9(2)13(11,12)8-7-10-5-3-4-6-10/h9H,3-8H2,1-2H3
InChIKeyMAOSXZACSCOTQY-UHFFFAOYSA-N
XLogP0.91
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-ylsulfonylethyl)pyrrolidine?
The IUPAC name of 1-(2-propan-2-ylsulfonylethyl)pyrrolidine (CID 23570729) is 1-(2-propan-2-ylsulfonylethyl)pyrrolidine.
What is the SMILES notation for 1-(2-propan-2-ylsulfonylethyl)pyrrolidine?
The canonical SMILES for 1-(2-propan-2-ylsulfonylethyl)pyrrolidine is CC(C)S(=O)(=O)CCN1CCCC1.
What is the InChIKey of 1-(2-propan-2-ylsulfonylethyl)pyrrolidine?
The InChIKey is MAOSXZACSCOTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-9(2)13(11,12)8-7-10-5-3-4-6-10/h9H,3-8H2,1-2H3.
What are the key properties of 1-(2-propan-2-ylsulfonylethyl)pyrrolidine?
1-(2-propan-2-ylsulfonylethyl)pyrrolidine has a molecular weight of 205.32 g/mol, XLogP of 0.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-ylsulfonylethyl)pyrrolidine is sourced from PubChem (CID 23570729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).