N-[2-oxo-2-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]ethyl]methanesulfonamide

C14H21N3O3S — CID 124948555

IUPACN-[2-oxo-2-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCC(=O)N1CCC[C@H]1CCc1ccncc1
InChIInChI=1S/C14H21N3O3S/c1-21(19,20)16-11-14(18)17-10-2-3-13(17)5-4-12-6-8-15-9-7-12/h6-9,13,16H,2-5,10-11H2,1H3/t13-/m0/s1
InChIKeyCNVGJFNGOBGVRB-ZDUSSCGKSA-N
MW311.41 g/mol
LogP0.55
Rot. Bonds6

About N-[2-oxo-2-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]ethyl]methanesulfonamide

N-[2-oxo-2-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]ethyl]methanesulfonamide (PubChem CID 124948555) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is N-[2-oxo-2-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-oxo-2-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]ethyl]methanesulfonamide
PubChem CID124948555
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC NameN-[2-oxo-2-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCC(=O)N1CCC[C@H]1CCc1ccncc1
InChIInChI=1S/C14H21N3O3S/c1-21(19,20)16-11-14(18)17-10-2-3-13(17)5-4-12-6-8-15-9-7-12/h6-9,13,16H,2-5,10-11H2,1H3/t13-/m0/s1
InChIKeyCNVGJFNGOBGVRB-ZDUSSCGKSA-N
XLogP0.55
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-oxo-2-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]ethyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethoxy-1-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]ethanone
CID 125006542
1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 74581521
3-phenoxy-1-[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]propan-1-one
CID 124959275
3-morpholin-4-yl-1-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]propan-1-one
CID 125012369
1-[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 124996955
2-(3-methoxyphenyl)-1-[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]ethanone
CID 125009146
4-[2-(1-ethylsulfonylpyrrolidin-2-yl)ethyl]pyridine
CID 73439643
2-(4-fluorophenoxy)-1-[2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]ethanone
CID 110103556
N-[2-oxo-2-[2-(2-phenylethyl)pyrrolidin-1-yl]ethyl]benzamide
CID 47066258
(1-methylpyrazol-4-yl)-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone
CID 125014760
[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone
CID 124969741
2-(3-fluorophenoxy)-1-[2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]ethanone
CID 110103555

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]ethyl]methanesulfonamide?
The IUPAC name of N-[2-oxo-2-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]ethyl]methanesulfonamide (CID 124948555) is N-[2-oxo-2-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-oxo-2-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-oxo-2-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]ethyl]methanesulfonamide is CS(=O)(=O)NCC(=O)N1CCC[C@H]1CCc1ccncc1.
What is the InChIKey of N-[2-oxo-2-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]ethyl]methanesulfonamide?
The InChIKey is CNVGJFNGOBGVRB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-21(19,20)16-11-14(18)17-10-2-3-13(17)5-4-12-6-8-15-9-7-12/h6-9,13,16H,2-5,10-11H2,1H3/t13-/m0/s1.
What are the key properties of N-[2-oxo-2-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]ethyl]methanesulfonamide?
N-[2-oxo-2-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]ethyl]methanesulfonamide has a molecular weight of 311.41 g/mol, XLogP of 0.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 124948555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).