1-piperidin-1-yl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)ethanone

C17H24N2O4S — CID 1006065

IUPAC1-piperidin-1-yl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)ethanone
SMILESO=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCCCC1
InChIInChI=1S/C17H24N2O4S/c20-17(18-10-2-1-3-11-18)14-23-15-6-8-16(9-7-15)24(21,22)19-12-4-5-13-19/h6-9H,1-5,10-14H2
InChIKeySPWJVDJRNHKMEN-UHFFFAOYSA-N
MW352.46 g/mol
LogP1.86
Rot. Bonds5

About 1-piperidin-1-yl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)ethanone

1-piperidin-1-yl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)ethanone (PubChem CID 1006065) has the molecular formula C17H24N2O4S and a molecular weight of 352.46 g/mol. Its IUPAC name is 1-piperidin-1-yl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)ethanone.

Molecular Properties

Compound Name1-piperidin-1-yl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)ethanone
PubChem CID1006065
Molecular FormulaC17H24N2O4S
Molecular Weight352.46 g/mol
Exact Mass352.15
IUPAC Name1-piperidin-1-yl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)ethanone
SMILESO=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCCCC1
InChIInChI=1S/C17H24N2O4S/c20-17(18-10-2-1-3-11-18)14-23-15-6-8-16(9-7-15)24(21,22)19-12-4-5-13-19/h6-9H,1-5,10-14H2
InChIKeySPWJVDJRNHKMEN-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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Related Compounds

4-(3-Piperidin-1-ylpropoxy)benzenesulfonamide
CID 70685675
Thiol-arylsulfonamide, 12a
CID 25138246
N-methyl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 1082957
N-propan-2-yl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 1082958
2-[4-(cyclohexylsulfamoyl)phenoxy]-N-cyclopropylacetamide
CID 1210664
Ethyl 1-[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]piperidine-3-carboxylate
CID 4095236
2-(4-Piperidin-1-ylsulfonylphenoxy)-1-pyrrolidin-1-ylethanone
CID 6459962
N-cyclopropyl-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 6460491
4-ethoxy-N-ethyl-N-[2-oxo-2-(pyrrolidin-1-yl)ethyl]benzenesulfonamide
CID 6471321
4-[2-(Morpholin-4-yl)ethoxy]benzene-1-sulfonamide
CID 18971452
2-Phenoxy-1-(4-propylsulfonylpiperazin-1-yl)ethanone
CID 740702
Methyl [4-(morpholin-4-ylsulfonyl)phenoxy]acetate
CID 647348

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)ethanone?
The IUPAC name of 1-piperidin-1-yl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)ethanone (CID 1006065) is 1-piperidin-1-yl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)ethanone.
What is the SMILES notation for 1-piperidin-1-yl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)ethanone?
The canonical SMILES for 1-piperidin-1-yl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)ethanone is O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-yl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)ethanone?
The InChIKey is SPWJVDJRNHKMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4S/c20-17(18-10-2-1-3-11-18)14-23-15-6-8-16(9-7-15)24(21,22)19-12-4-5-13-19/h6-9H,1-5,10-14H2.
What are the key properties of 1-piperidin-1-yl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)ethanone?
1-piperidin-1-yl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)ethanone 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 1-piperidin-1-yl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)ethanone is sourced from PubChem (CID 1006065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).