5-oxo-1-[2-(piperidin-1-ylmethyl)phenyl]pyrrolidine-3-sulfonamide

C16H23N3O3S — CID 168719152

IUPAC5-oxo-1-[2-(piperidin-1-ylmethyl)phenyl]pyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CC(=O)N(c2ccccc2CN2CCCCC2)C1
InChIInChI=1S/C16H23N3O3S/c17-23(21,22)14-10-16(20)19(12-14)15-7-3-2-6-13(15)11-18-8-4-1-5-9-18/h2-3,6-7,14H,1,4-5,8-12H2,(H2,17,21,22)
InChIKeyICHFCUDOIPEUSB-UHFFFAOYSA-N
MW337.44 g/mol
LogP1.07
Rot. Bonds4

About 5-oxo-1-[2-(piperidin-1-ylmethyl)phenyl]pyrrolidine-3-sulfonamide

5-oxo-1-[2-(piperidin-1-ylmethyl)phenyl]pyrrolidine-3-sulfonamide (PubChem CID 168719152) has the molecular formula C16H23N3O3S and a molecular weight of 337.44 g/mol. Its IUPAC name is 5-oxo-1-[2-(piperidin-1-ylmethyl)phenyl]pyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name5-oxo-1-[2-(piperidin-1-ylmethyl)phenyl]pyrrolidine-3-sulfonamide
PubChem CID168719152
Molecular FormulaC16H23N3O3S
Molecular Weight337.44 g/mol
Exact Mass337.15
IUPAC Name5-oxo-1-[2-(piperidin-1-ylmethyl)phenyl]pyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CC(=O)N(c2ccccc2CN2CCCCC2)C1
InChIInChI=1S/C16H23N3O3S/c17-23(21,22)14-10-16(20)19(12-14)15-7-3-2-6-13(15)11-18-8-4-1-5-9-18/h2-3,6-7,14H,1,4-5,8-12H2,(H2,17,21,22)
InChIKeyICHFCUDOIPEUSB-UHFFFAOYSA-N
XLogP1.07
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-oxo-1-[2-(piperidin-1-ylmethyl)phenyl]pyrrolidine-3-sulfonyl chloride
CID 168712710
1-[2-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidine-3-sulfonamide
CID 168719153
4-hydroxy-1-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidin-2-one
CID 168703708
4-ethynyl-1-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidin-2-one
CID 168502589
4-(chloromethyl)-1-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidin-2-one
CID 168509230
5-oxo-1-[3-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidine-3-sulfonamide
CID 168719381
1-(2-cyanophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718987
1-(2-amino-3-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168719409
5-oxo-1-(3-piperidin-1-ylphenyl)pyrrolidine-3-sulfonamide
CID 168719420
5-oxo-1-[2-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine-3-sulfonamide
CID 168719005
1-[3-(azepan-1-yl)propyl]-5-oxopyrrolidine-3-sulfonamide
CID 168718145
1-(3-fluoro-2-methylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717604

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-[2-(piperidin-1-ylmethyl)phenyl]pyrrolidine-3-sulfonamide?
The IUPAC name of 5-oxo-1-[2-(piperidin-1-ylmethyl)phenyl]pyrrolidine-3-sulfonamide (CID 168719152) is 5-oxo-1-[2-(piperidin-1-ylmethyl)phenyl]pyrrolidine-3-sulfonamide.
What is the SMILES notation for 5-oxo-1-[2-(piperidin-1-ylmethyl)phenyl]pyrrolidine-3-sulfonamide?
The canonical SMILES for 5-oxo-1-[2-(piperidin-1-ylmethyl)phenyl]pyrrolidine-3-sulfonamide is NS(=O)(=O)C1CC(=O)N(c2ccccc2CN2CCCCC2)C1.
What is the InChIKey of 5-oxo-1-[2-(piperidin-1-ylmethyl)phenyl]pyrrolidine-3-sulfonamide?
The InChIKey is ICHFCUDOIPEUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S/c17-23(21,22)14-10-16(20)19(12-14)15-7-3-2-6-13(15)11-18-8-4-1-5-9-18/h2-3,6-7,14H,1,4-5,8-12H2,(H2,17,21,22).
What are the key properties of 5-oxo-1-[2-(piperidin-1-ylmethyl)phenyl]pyrrolidine-3-sulfonamide?
5-oxo-1-[2-(piperidin-1-ylmethyl)phenyl]pyrrolidine-3-sulfonamide has a molecular weight of 337.44 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-[2-(piperidin-1-ylmethyl)phenyl]pyrrolidine-3-sulfonamide is sourced from PubChem (CID 168719152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).