N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]piperidine-1-sulfonamide

C16H23N3O3S — CID 16919583

IUPACN-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]piperidine-1-sulfonamide
SMILESO=C1CC(CNS(=O)(=O)N2CCCCC2)CN1c1ccccc1
InChIInChI=1S/C16H23N3O3S/c20-16-11-14(13-19(16)15-7-3-1-4-8-15)12-17-23(21,22)18-9-5-2-6-10-18/h1,3-4,7-8,14,17H,2,5-6,9-13H2
InChIKeyISEPODCEICVREJ-UHFFFAOYSA-N
MW337.44 g/mol
LogP1.36
Rot. Bonds5

About N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]piperidine-1-sulfonamide

N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]piperidine-1-sulfonamide (PubChem CID 16919583) has the molecular formula C16H23N3O3S and a molecular weight of 337.44 g/mol. Its IUPAC name is N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]piperidine-1-sulfonamide
PubChem CID16919583
Molecular FormulaC16H23N3O3S
Molecular Weight337.44 g/mol
Exact Mass337.15
IUPAC NameN-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]piperidine-1-sulfonamide
SMILESO=C1CC(CNS(=O)(=O)N2CCCCC2)CN1c1ccccc1
InChIInChI=1S/C16H23N3O3S/c20-16-11-14(13-19(16)15-7-3-1-4-8-15)12-17-23(21,22)18-9-5-2-6-10-18/h1,3-4,7-8,14,17H,2,5-6,9-13H2
InChIKeyISEPODCEICVREJ-UHFFFAOYSA-N
XLogP1.36
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(1,3-benzodioxol-5-yl)-5-oxopyrrolidin-3-yl]methyl]piperidine-1-sulfonamide
CID 16919823
N-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]benzenesulfonamide
CID 40911700
(4R)-1-phenyl-4-[(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methyl]pyrrolidin-2-one
CID 125173786
4-chloro-N-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]benzenesulfonamide
CID 40911707
4-fluoro-N-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]benzenesulfonamide
CID 40911714
4-ethyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 110640271
N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 131935929
2,4-difluoro-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 16919575
2,5-dimethyl-N-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]benzenesulfonamide
CID 40911833
4-(bromomethyl)-1-phenylpyrrolidin-2-one
CID 23591967
N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]-1,3-benzodioxole-5-sulfonamide
CID 110413537
1-phenyl-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168672207

Frequently Asked Questions

What is the IUPAC name of N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]piperidine-1-sulfonamide?
The IUPAC name of N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]piperidine-1-sulfonamide (CID 16919583) is N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]piperidine-1-sulfonamide.
What is the SMILES notation for N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]piperidine-1-sulfonamide?
The canonical SMILES for N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]piperidine-1-sulfonamide is O=C1CC(CNS(=O)(=O)N2CCCCC2)CN1c1ccccc1.
What is the InChIKey of N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]piperidine-1-sulfonamide?
The InChIKey is ISEPODCEICVREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S/c20-16-11-14(13-19(16)15-7-3-1-4-8-15)12-17-23(21,22)18-9-5-2-6-10-18/h1,3-4,7-8,14,17H,2,5-6,9-13H2.
What are the key properties of N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]piperidine-1-sulfonamide?
N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]piperidine-1-sulfonamide has a molecular weight of 337.44 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]piperidine-1-sulfonamide is sourced from PubChem (CID 16919583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).