N-[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]piperidine-1-sulfonamide

C17H25N3O3S — CID 42381458

IUPACN-[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]piperidine-1-sulfonamide
SMILESO=C1C[C@@H](NS(=O)(=O)N2CCCCC2)CN1CCc1ccccc1
InChIInChI=1S/C17H25N3O3S/c21-17-13-16(18-24(22,23)20-10-5-2-6-11-20)14-19(17)12-9-15-7-3-1-4-8-15/h1,3-4,7-8,16,18H,2,5-6,9-14H2/t16-/m1/s1
InChIKeyJAPGPXGPFNCSLU-MRXNPFEDSA-N
MW351.47 g/mol
LogP1.15
Rot. Bonds6

About N-[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]piperidine-1-sulfonamide

N-[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]piperidine-1-sulfonamide (PubChem CID 42381458) has the molecular formula C17H25N3O3S and a molecular weight of 351.47 g/mol. Its IUPAC name is N-[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]piperidine-1-sulfonamide
PubChem CID42381458
Molecular FormulaC17H25N3O3S
Molecular Weight351.47 g/mol
Exact Mass351.16
IUPAC NameN-[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]piperidine-1-sulfonamide
SMILESO=C1C[C@@H](NS(=O)(=O)N2CCCCC2)CN1CCc1ccccc1
InChIInChI=1S/C17H25N3O3S/c21-17-13-16(18-24(22,23)20-10-5-2-6-11-20)14-19(17)12-9-15-7-3-1-4-8-15/h1,3-4,7-8,16,18H,2,5-6,9-14H2/t16-/m1/s1
InChIKeyJAPGPXGPFNCSLU-MRXNPFEDSA-N
XLogP1.15
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]pyrrolidine-1-sulfonamide
CID 45234279
N-[(3R)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]pyrrolidine-1-sulfonamide
CID 42193458
N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]cyclobutanecarboxamide
CID 45195311
(3S)-5-oxo-1-(2-phenylethyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide
CID 2471735
(3S)-5-oxo-1-(2-phenylethyl)-N-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide
CID 94115136
(3R)-N-cyclopropyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 51373179
(4R)-4-acetyl-1-(2-phenylethyl)pyrrolidin-2-one
CID 71239800
5-oxo-1-(2-phenylethyl)-N-(2-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 42977398
N-[(3S)-1-benzyl-6-cyano-3,4-dihydro-2H-quinolin-3-yl]piperidine-1-sulfonamide
CID 52932493
(3R)-5-oxo-1-(2-phenylethyl)-N-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 7922412
N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]but-2-ynamide
CID 45221745
3,5-dimethyl-N-[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]-1H-pyrazole-4-sulfonamide
CID 45203503

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]piperidine-1-sulfonamide?
The IUPAC name of N-[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]piperidine-1-sulfonamide (CID 42381458) is N-[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]piperidine-1-sulfonamide.
What is the SMILES notation for N-[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]piperidine-1-sulfonamide?
The canonical SMILES for N-[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]piperidine-1-sulfonamide is O=C1C[C@@H](NS(=O)(=O)N2CCCCC2)CN1CCc1ccccc1.
What is the InChIKey of N-[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]piperidine-1-sulfonamide?
The InChIKey is JAPGPXGPFNCSLU-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H25N3O3S/c21-17-13-16(18-24(22,23)20-10-5-2-6-11-20)14-19(17)12-9-15-7-3-1-4-8-15/h1,3-4,7-8,16,18H,2,5-6,9-14H2/t16-/m1/s1.
What are the key properties of N-[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]piperidine-1-sulfonamide?
N-[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]piperidine-1-sulfonamide has a molecular weight of 351.47 g/mol, XLogP of 1.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]piperidine-1-sulfonamide is sourced from PubChem (CID 42381458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).