3-(2-phenoxyethyl)-1-propan-2-ylsulfonylpyrrolidine

C15H23NO3S — CID 91919954

IUPAC3-(2-phenoxyethyl)-1-propan-2-ylsulfonylpyrrolidine
SMILESCC(C)S(=O)(=O)N1CCC(CCOc2ccccc2)C1
InChIInChI=1S/C15H23NO3S/c1-13(2)20(17,18)16-10-8-14(12-16)9-11-19-15-6-4-3-5-7-15/h3-7,13-14H,8-12H2,1-2H3
InChIKeyBVEIUTSTVTYYLD-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.52
Rot. Bonds6

About 3-(2-phenoxyethyl)-1-propan-2-ylsulfonylpyrrolidine

3-(2-phenoxyethyl)-1-propan-2-ylsulfonylpyrrolidine (PubChem CID 91919954) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is 3-(2-phenoxyethyl)-1-propan-2-ylsulfonylpyrrolidine.

Molecular Properties

Compound Name3-(2-phenoxyethyl)-1-propan-2-ylsulfonylpyrrolidine
PubChem CID91919954
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC Name3-(2-phenoxyethyl)-1-propan-2-ylsulfonylpyrrolidine
SMILESCC(C)S(=O)(=O)N1CCC(CCOc2ccccc2)C1
InChIInChI=1S/C15H23NO3S/c1-13(2)20(17,18)16-10-8-14(12-16)9-11-19-15-6-4-3-5-7-15/h3-7,13-14H,8-12H2,1-2H3
InChIKeyBVEIUTSTVTYYLD-UHFFFAOYSA-N
XLogP2.52
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-phenoxyethyl)-1-propan-2-ylsulfonylpyrrolidine?
The IUPAC name of 3-(2-phenoxyethyl)-1-propan-2-ylsulfonylpyrrolidine (CID 91919954) is 3-(2-phenoxyethyl)-1-propan-2-ylsulfonylpyrrolidine.
What is the SMILES notation for 3-(2-phenoxyethyl)-1-propan-2-ylsulfonylpyrrolidine?
The canonical SMILES for 3-(2-phenoxyethyl)-1-propan-2-ylsulfonylpyrrolidine is CC(C)S(=O)(=O)N1CCC(CCOc2ccccc2)C1.
What is the InChIKey of 3-(2-phenoxyethyl)-1-propan-2-ylsulfonylpyrrolidine?
The InChIKey is BVEIUTSTVTYYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-13(2)20(17,18)16-10-8-14(12-16)9-11-19-15-6-4-3-5-7-15/h3-7,13-14H,8-12H2,1-2H3.
What are the key properties of 3-(2-phenoxyethyl)-1-propan-2-ylsulfonylpyrrolidine?
3-(2-phenoxyethyl)-1-propan-2-ylsulfonylpyrrolidine has a molecular weight of 297.42 g/mol, XLogP of 2.52, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenoxyethyl)-1-propan-2-ylsulfonylpyrrolidine is sourced from PubChem (CID 91919954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).