N-[(3S,4R)-1-(2-oxo-1H-pyridine-3-carbonyl)-4-propylpyrrolidin-3-yl]methanesulfonamide

C14H21N3O4S — CID 70736321

IUPACN-[(3S,4R)-1-(2-oxo-1H-pyridine-3-carbonyl)-4-propylpyrrolidin-3-yl]methanesulfonamide
SMILESCCC[C@@H]1CN(C(=O)c2ccc[nH]c2=O)C[C@H]1NS(C)(=O)=O
InChIInChI=1S/C14H21N3O4S/c1-3-5-10-8-17(9-12(10)16-22(2,20)21)14(19)11-6-4-7-15-13(11)18/h4,6-7,10,12,16H,3,5,8-9H2,1-2H3,(H,15,18)/t10-,12-/m1/s1
InChIKeyAZEWYOLFGWCVHC-ZYHUDNBSSA-N
MW327.41 g/mol
LogP0.16
Rot. Bonds5

About N-[(3S,4R)-1-(2-oxo-1H-pyridine-3-carbonyl)-4-propylpyrrolidin-3-yl]methanesulfonamide

N-[(3S,4R)-1-(2-oxo-1H-pyridine-3-carbonyl)-4-propylpyrrolidin-3-yl]methanesulfonamide (PubChem CID 70736321) has the molecular formula C14H21N3O4S and a molecular weight of 327.41 g/mol. Its IUPAC name is N-[(3S,4R)-1-(2-oxo-1H-pyridine-3-carbonyl)-4-propylpyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3S,4R)-1-(2-oxo-1H-pyridine-3-carbonyl)-4-propylpyrrolidin-3-yl]methanesulfonamide
PubChem CID70736321
Molecular FormulaC14H21N3O4S
Molecular Weight327.41 g/mol
Exact Mass327.13
IUPAC NameN-[(3S,4R)-1-(2-oxo-1H-pyridine-3-carbonyl)-4-propylpyrrolidin-3-yl]methanesulfonamide
SMILESCCC[C@@H]1CN(C(=O)c2ccc[nH]c2=O)C[C@H]1NS(C)(=O)=O
InChIInChI=1S/C14H21N3O4S/c1-3-5-10-8-17(9-12(10)16-22(2,20)21)14(19)11-6-4-7-15-13(11)18/h4,6-7,10,12,16H,3,5,8-9H2,1-2H3,(H,15,18)/t10-,12-/m1/s1
InChIKeyAZEWYOLFGWCVHC-ZYHUDNBSSA-N
XLogP0.16
TPSA99.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-1-(2-oxo-1H-pyridine-3-carbonyl)-4-propylpyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of N-[(3S,4R)-1-(2-oxo-1H-pyridine-3-carbonyl)-4-propylpyrrolidin-3-yl]methanesulfonamide (CID 70736321) is N-[(3S,4R)-1-(2-oxo-1H-pyridine-3-carbonyl)-4-propylpyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[(3S,4R)-1-(2-oxo-1H-pyridine-3-carbonyl)-4-propylpyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[(3S,4R)-1-(2-oxo-1H-pyridine-3-carbonyl)-4-propylpyrrolidin-3-yl]methanesulfonamide is CCC[C@@H]1CN(C(=O)c2ccc[nH]c2=O)C[C@H]1NS(C)(=O)=O.
What is the InChIKey of N-[(3S,4R)-1-(2-oxo-1H-pyridine-3-carbonyl)-4-propylpyrrolidin-3-yl]methanesulfonamide?
The InChIKey is AZEWYOLFGWCVHC-ZYHUDNBSSA-N. The full InChI is InChI=1S/C14H21N3O4S/c1-3-5-10-8-17(9-12(10)16-22(2,20)21)14(19)11-6-4-7-15-13(11)18/h4,6-7,10,12,16H,3,5,8-9H2,1-2H3,(H,15,18)/t10-,12-/m1/s1.
What are the key properties of N-[(3S,4R)-1-(2-oxo-1H-pyridine-3-carbonyl)-4-propylpyrrolidin-3-yl]methanesulfonamide?
N-[(3S,4R)-1-(2-oxo-1H-pyridine-3-carbonyl)-4-propylpyrrolidin-3-yl]methanesulfonamide has a molecular weight of 327.41 g/mol, XLogP of 0.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-1-(2-oxo-1H-pyridine-3-carbonyl)-4-propylpyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 70736321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).