N-[(3R,4S)-1-(1,6-dimethyl-2-oxopyridine-3-carbonyl)-4-propylpyrrolidin-3-yl]methanesulfonamide

C16H25N3O4S — CID 72861045

IUPACN-[(3R,4S)-1-(1,6-dimethyl-2-oxopyridine-3-carbonyl)-4-propylpyrrolidin-3-yl]methanesulfonamide
SMILESCCC[C@H]1CN(C(=O)c2ccc(C)n(C)c2=O)C[C@@H]1NS(C)(=O)=O
InChIInChI=1S/C16H25N3O4S/c1-5-6-12-9-19(10-14(12)17-24(4,22)23)16(21)13-8-7-11(2)18(3)15(13)20/h7-8,12,14,17H,5-6,9-10H2,1-4H3/t12-,14-/m0/s1
InChIKeyBPAOPLUOINBRHQ-JSGCOSHPSA-N
MW355.46 g/mol
LogP0.48
Rot. Bonds5

About N-[(3R,4S)-1-(1,6-dimethyl-2-oxopyridine-3-carbonyl)-4-propylpyrrolidin-3-yl]methanesulfonamide

N-[(3R,4S)-1-(1,6-dimethyl-2-oxopyridine-3-carbonyl)-4-propylpyrrolidin-3-yl]methanesulfonamide (PubChem CID 72861045) has the molecular formula C16H25N3O4S and a molecular weight of 355.46 g/mol. Its IUPAC name is N-[(3R,4S)-1-(1,6-dimethyl-2-oxopyridine-3-carbonyl)-4-propylpyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3R,4S)-1-(1,6-dimethyl-2-oxopyridine-3-carbonyl)-4-propylpyrrolidin-3-yl]methanesulfonamide
PubChem CID72861045
Molecular FormulaC16H25N3O4S
Molecular Weight355.46 g/mol
Exact Mass355.16
IUPAC NameN-[(3R,4S)-1-(1,6-dimethyl-2-oxopyridine-3-carbonyl)-4-propylpyrrolidin-3-yl]methanesulfonamide
SMILESCCC[C@H]1CN(C(=O)c2ccc(C)n(C)c2=O)C[C@@H]1NS(C)(=O)=O
InChIInChI=1S/C16H25N3O4S/c1-5-6-12-9-19(10-14(12)17-24(4,22)23)16(21)13-8-7-11(2)18(3)15(13)20/h7-8,12,14,17H,5-6,9-10H2,1-4H3/t12-,14-/m0/s1
InChIKeyBPAOPLUOINBRHQ-JSGCOSHPSA-N
XLogP0.48
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3R,4S)-1-(1,6-dimethyl-2-oxopyridine-3-carbonyl)-4-propylpyrrolidin-3-yl]methanesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-1-(1,6-dimethyl-2-oxopyridine-3-carbonyl)-4-propylpyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of N-[(3R,4S)-1-(1,6-dimethyl-2-oxopyridine-3-carbonyl)-4-propylpyrrolidin-3-yl]methanesulfonamide (CID 72861045) is N-[(3R,4S)-1-(1,6-dimethyl-2-oxopyridine-3-carbonyl)-4-propylpyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[(3R,4S)-1-(1,6-dimethyl-2-oxopyridine-3-carbonyl)-4-propylpyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[(3R,4S)-1-(1,6-dimethyl-2-oxopyridine-3-carbonyl)-4-propylpyrrolidin-3-yl]methanesulfonamide is CCC[C@H]1CN(C(=O)c2ccc(C)n(C)c2=O)C[C@@H]1NS(C)(=O)=O.
What is the InChIKey of N-[(3R,4S)-1-(1,6-dimethyl-2-oxopyridine-3-carbonyl)-4-propylpyrrolidin-3-yl]methanesulfonamide?
The InChIKey is BPAOPLUOINBRHQ-JSGCOSHPSA-N. The full InChI is InChI=1S/C16H25N3O4S/c1-5-6-12-9-19(10-14(12)17-24(4,22)23)16(21)13-8-7-11(2)18(3)15(13)20/h7-8,12,14,17H,5-6,9-10H2,1-4H3/t12-,14-/m0/s1.
What are the key properties of N-[(3R,4S)-1-(1,6-dimethyl-2-oxopyridine-3-carbonyl)-4-propylpyrrolidin-3-yl]methanesulfonamide?
N-[(3R,4S)-1-(1,6-dimethyl-2-oxopyridine-3-carbonyl)-4-propylpyrrolidin-3-yl]methanesulfonamide has a molecular weight of 355.46 g/mol, XLogP of 0.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-1-(1,6-dimethyl-2-oxopyridine-3-carbonyl)-4-propylpyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 72861045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).