2-(4-piperidin-1-ylsulfonylphenoxy)-1-pyrrolidin-1-ylethanone

C17H24N2O4S — CID 6459962

IUPAC2-(4-piperidin-1-ylsulfonylphenoxy)-1-pyrrolidin-1-ylethanone
SMILESO=C(COc1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCCC1
InChIInChI=1S/C17H24N2O4S/c20-17(18-10-4-5-11-18)14-23-15-6-8-16(9-7-15)24(21,22)19-12-2-1-3-13-19/h6-9H,1-5,10-14H2
InChIKeyLYCMYUXZYGAEFO-UHFFFAOYSA-N
MW352.46 g/mol
LogP1.86
Rot. Bonds5

About 2-(4-piperidin-1-ylsulfonylphenoxy)-1-pyrrolidin-1-ylethanone

2-(4-piperidin-1-ylsulfonylphenoxy)-1-pyrrolidin-1-ylethanone (PubChem CID 6459962) has the molecular formula C17H24N2O4S and a molecular weight of 352.46 g/mol. Its IUPAC name is 2-(4-piperidin-1-ylsulfonylphenoxy)-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(4-piperidin-1-ylsulfonylphenoxy)-1-pyrrolidin-1-ylethanone
PubChem CID6459962
Molecular FormulaC17H24N2O4S
Molecular Weight352.46 g/mol
Exact Mass352.15
IUPAC Name2-(4-piperidin-1-ylsulfonylphenoxy)-1-pyrrolidin-1-ylethanone
SMILESO=C(COc1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCCC1
InChIInChI=1S/C17H24N2O4S/c20-17(18-10-4-5-11-18)14-23-15-6-8-16(9-7-15)24(21,22)19-12-2-1-3-13-19/h6-9H,1-5,10-14H2
InChIKeyLYCMYUXZYGAEFO-UHFFFAOYSA-N
XLogP1.86
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-piperidin-1-ylsulfonylphenoxy)-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(4-piperidin-1-ylsulfonylphenoxy)-1-pyrrolidin-1-ylethanone (CID 6459962) is 2-(4-piperidin-1-ylsulfonylphenoxy)-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(4-piperidin-1-ylsulfonylphenoxy)-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(4-piperidin-1-ylsulfonylphenoxy)-1-pyrrolidin-1-ylethanone is O=C(COc1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCCC1.
What is the InChIKey of 2-(4-piperidin-1-ylsulfonylphenoxy)-1-pyrrolidin-1-ylethanone?
The InChIKey is LYCMYUXZYGAEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4S/c20-17(18-10-4-5-11-18)14-23-15-6-8-16(9-7-15)24(21,22)19-12-2-1-3-13-19/h6-9H,1-5,10-14H2.
What are the key properties of 2-(4-piperidin-1-ylsulfonylphenoxy)-1-pyrrolidin-1-ylethanone?
2-(4-piperidin-1-ylsulfonylphenoxy)-1-pyrrolidin-1-ylethanone has a molecular weight of 352.46 g/mol, XLogP of 1.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-piperidin-1-ylsulfonylphenoxy)-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 6459962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).