N,N-dimethyl-2-phenacylpyrrolidine-1-sulfonamide

C14H20N2O3S — CID 75448267

IUPACN,N-dimethyl-2-phenacylpyrrolidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCCC1CC(=O)c1ccccc1
InChIInChI=1S/C14H20N2O3S/c1-15(2)20(18,19)16-10-6-9-13(16)11-14(17)12-7-4-3-5-8-12/h3-5,7-8,13H,6,9-11H2,1-2H3
InChIKeyZCXRBGCXLYRABL-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.53
Rot. Bonds5

About N,N-dimethyl-2-phenacylpyrrolidine-1-sulfonamide

N,N-dimethyl-2-phenacylpyrrolidine-1-sulfonamide (PubChem CID 75448267) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is N,N-dimethyl-2-phenacylpyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-2-phenacylpyrrolidine-1-sulfonamide
PubChem CID75448267
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC NameN,N-dimethyl-2-phenacylpyrrolidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCCC1CC(=O)c1ccccc1
InChIInChI=1S/C14H20N2O3S/c1-15(2)20(18,19)16-10-6-9-13(16)11-14(17)12-7-4-3-5-8-12/h3-5,7-8,13H,6,9-11H2,1-2H3
InChIKeyZCXRBGCXLYRABL-UHFFFAOYSA-N
XLogP1.53
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2R)-1-[methyl(2-phenylethyl)sulfamoyl]pyrrolidin-2-yl]acetic acid
CID 166267257
2-(1-ethylsulfonylpyrrolidin-2-yl)-1-(4-fluorophenyl)ethanone
CID 75517519
N-ethyl-N-methyl-2-(2-oxo-2-thiophen-2-ylethyl)pyrrolidine-1-sulfonamide
CID 75448273
2-(1-benzylpyrrolidin-2-yl)-1-phenylethanone
CID 122375252
2-[(2-methoxyphenyl)methyl]-N,N-dimethylpyrrolidine-1-sulfonamide
CID 136579692
2-[1-(4-acetylbenzoyl)pyrrolidin-2-yl]-1-phenylethanone
CID 75425281
2-(3-hydroxypropyl)-N,N-dimethylpyrrolidine-1-sulfonamide
CID 62468298
2-[(2R)-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-2-yl]-1-phenylethanone
CID 97320662
(2R)-2-[2-(4-hydroxyphenyl)ethyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 95721516
benzyl (2S)-2-phenacylpyrrolidine-1-carboxylate
CID 164675638
2-[(2S,5R)-5-phenacyl-1-phenylpyrrolidin-2-yl]-1-phenylethanone
CID 122364456
1-phenyl-2-[(2S)-1-(thiophene-3-carbonyl)pyrrolidin-2-yl]ethanone
CID 97041732

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-phenacylpyrrolidine-1-sulfonamide?
The IUPAC name of N,N-dimethyl-2-phenacylpyrrolidine-1-sulfonamide (CID 75448267) is N,N-dimethyl-2-phenacylpyrrolidine-1-sulfonamide.
What is the SMILES notation for N,N-dimethyl-2-phenacylpyrrolidine-1-sulfonamide?
The canonical SMILES for N,N-dimethyl-2-phenacylpyrrolidine-1-sulfonamide is CN(C)S(=O)(=O)N1CCCC1CC(=O)c1ccccc1.
What is the InChIKey of N,N-dimethyl-2-phenacylpyrrolidine-1-sulfonamide?
The InChIKey is ZCXRBGCXLYRABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-15(2)20(18,19)16-10-6-9-13(16)11-14(17)12-7-4-3-5-8-12/h3-5,7-8,13H,6,9-11H2,1-2H3.
What are the key properties of N,N-dimethyl-2-phenacylpyrrolidine-1-sulfonamide?
N,N-dimethyl-2-phenacylpyrrolidine-1-sulfonamide has a molecular weight of 296.39 g/mol, XLogP of 1.53, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-phenacylpyrrolidine-1-sulfonamide is sourced from PubChem (CID 75448267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).