N-[(3R,4S)-1-[2-(2-oxo-1-pyridinyl)acetyl]-4-propylpyrrolidin-3-yl]methanesulfonamide

C15H23N3O4S — CID 72874351

IUPACN-[(3R,4S)-1-[2-(2-oxo-1-pyridinyl)acetyl]-4-propylpyrrolidin-3-yl]methanesulfonamide
SMILESCCC[C@H]1CN(C(=O)Cn2ccccc2=O)C[C@@H]1NS(C)(=O)=O
InChIInChI=1S/C15H23N3O4S/c1-3-6-12-9-18(10-13(12)16-23(2,21)22)15(20)11-17-8-5-4-7-14(17)19/h4-5,7-8,12-13,16H,3,6,9-11H2,1-2H3/t12-,13-/m0/s1
InChIKeyPKUKPCIUOLJBQZ-STQMWFEESA-N
MW341.43 g/mol
LogP0.02
Rot. Bonds6

About N-[(3R,4S)-1-[2-(2-oxo-1-pyridinyl)acetyl]-4-propylpyrrolidin-3-yl]methanesulfonamide

N-[(3R,4S)-1-[2-(2-oxo-1-pyridinyl)acetyl]-4-propylpyrrolidin-3-yl]methanesulfonamide (PubChem CID 72874351) has the molecular formula C15H23N3O4S and a molecular weight of 341.43 g/mol. Its IUPAC name is N-[(3R,4S)-1-[2-(2-oxo-1-pyridinyl)acetyl]-4-propylpyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3R,4S)-1-[2-(2-oxo-1-pyridinyl)acetyl]-4-propylpyrrolidin-3-yl]methanesulfonamide
PubChem CID72874351
Molecular FormulaC15H23N3O4S
Molecular Weight341.43 g/mol
Exact Mass341.14
IUPAC NameN-[(3R,4S)-1-[2-(2-oxo-1-pyridinyl)acetyl]-4-propylpyrrolidin-3-yl]methanesulfonamide
SMILESCCC[C@H]1CN(C(=O)Cn2ccccc2=O)C[C@@H]1NS(C)(=O)=O
InChIInChI=1S/C15H23N3O4S/c1-3-6-12-9-18(10-13(12)16-23(2,21)22)15(20)11-17-8-5-4-7-14(17)19/h4-5,7-8,12-13,16H,3,6,9-11H2,1-2H3/t12-,13-/m0/s1
InChIKeyPKUKPCIUOLJBQZ-STQMWFEESA-N
XLogP0.02
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-1-[2-(2-oxo-1-pyridinyl)acetyl]-4-propylpyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of N-[(3R,4S)-1-[2-(2-oxo-1-pyridinyl)acetyl]-4-propylpyrrolidin-3-yl]methanesulfonamide (CID 72874351) is N-[(3R,4S)-1-[2-(2-oxo-1-pyridinyl)acetyl]-4-propylpyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[(3R,4S)-1-[2-(2-oxo-1-pyridinyl)acetyl]-4-propylpyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[(3R,4S)-1-[2-(2-oxo-1-pyridinyl)acetyl]-4-propylpyrrolidin-3-yl]methanesulfonamide is CCC[C@H]1CN(C(=O)Cn2ccccc2=O)C[C@@H]1NS(C)(=O)=O.
What is the InChIKey of N-[(3R,4S)-1-[2-(2-oxo-1-pyridinyl)acetyl]-4-propylpyrrolidin-3-yl]methanesulfonamide?
The InChIKey is PKUKPCIUOLJBQZ-STQMWFEESA-N. The full InChI is InChI=1S/C15H23N3O4S/c1-3-6-12-9-18(10-13(12)16-23(2,21)22)15(20)11-17-8-5-4-7-14(17)19/h4-5,7-8,12-13,16H,3,6,9-11H2,1-2H3/t12-,13-/m0/s1.
What are the key properties of N-[(3R,4S)-1-[2-(2-oxo-1-pyridinyl)acetyl]-4-propylpyrrolidin-3-yl]methanesulfonamide?
N-[(3R,4S)-1-[2-(2-oxo-1-pyridinyl)acetyl]-4-propylpyrrolidin-3-yl]methanesulfonamide has a molecular weight of 341.43 g/mol, XLogP of 0.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-1-[2-(2-oxo-1-pyridinyl)acetyl]-4-propylpyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 72874351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).