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

C14H27NO2S — CID 71861861

IUPAC2-cyclopentyl-1-(2-propan-2-ylsulfonylethyl)pyrrolidine
SMILESCC(C)S(=O)(=O)CCN1CCCC1C1CCCC1
InChIInChI=1S/C14H27NO2S/c1-12(2)18(16,17)11-10-15-9-5-8-14(15)13-6-3-4-7-13/h12-14H,3-11H2,1-2H3
InChIKeyMUGLHYDVNUSMNV-UHFFFAOYSA-N
MW273.44 g/mol
LogP2.46
Rot. Bonds5

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

2-cyclopentyl-1-(2-propan-2-ylsulfonylethyl)pyrrolidine (PubChem CID 71861861) has the molecular formula C14H27NO2S and a molecular weight of 273.44 g/mol. Its IUPAC name is 2-cyclopentyl-1-(2-propan-2-ylsulfonylethyl)pyrrolidine.

Molecular Properties

Compound Name2-cyclopentyl-1-(2-propan-2-ylsulfonylethyl)pyrrolidine
PubChem CID71861861
Molecular FormulaC14H27NO2S
Molecular Weight273.44 g/mol
Exact Mass273.18
IUPAC Name2-cyclopentyl-1-(2-propan-2-ylsulfonylethyl)pyrrolidine
SMILESCC(C)S(=O)(=O)CCN1CCCC1C1CCCC1
InChIInChI=1S/C14H27NO2S/c1-12(2)18(16,17)11-10-15-9-5-8-14(15)13-6-3-4-7-13/h12-14H,3-11H2,1-2H3
InChIKeyMUGLHYDVNUSMNV-UHFFFAOYSA-N
XLogP2.46
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.44
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-(2-propan-2-ylsulfonylethyl)pyrrolidine?
The IUPAC name of 2-cyclopentyl-1-(2-propan-2-ylsulfonylethyl)pyrrolidine (CID 71861861) is 2-cyclopentyl-1-(2-propan-2-ylsulfonylethyl)pyrrolidine.
What is the SMILES notation for 2-cyclopentyl-1-(2-propan-2-ylsulfonylethyl)pyrrolidine?
The canonical SMILES for 2-cyclopentyl-1-(2-propan-2-ylsulfonylethyl)pyrrolidine is CC(C)S(=O)(=O)CCN1CCCC1C1CCCC1.
What is the InChIKey of 2-cyclopentyl-1-(2-propan-2-ylsulfonylethyl)pyrrolidine?
The InChIKey is MUGLHYDVNUSMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2S/c1-12(2)18(16,17)11-10-15-9-5-8-14(15)13-6-3-4-7-13/h12-14H,3-11H2,1-2H3.
What are the key properties of 2-cyclopentyl-1-(2-propan-2-ylsulfonylethyl)pyrrolidine?
2-cyclopentyl-1-(2-propan-2-ylsulfonylethyl)pyrrolidine has a molecular weight of 273.44 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-(2-propan-2-ylsulfonylethyl)pyrrolidine is sourced from PubChem (CID 71861861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).