N-[(3R,4S)-1-(1H-imidazol-2-ylmethyl)-4-propylpyrrolidin-3-yl]-3-methylsulfonylpropanamide

C15H26N4O3S — CID 86283433

IUPACN-[(3R,4S)-1-(1H-imidazol-2-ylmethyl)-4-propylpyrrolidin-3-yl]-3-methylsulfonylpropanamide
SMILESCCC[C@H]1CN(Cc2ncc[nH]2)C[C@@H]1NC(=O)CCS(C)(=O)=O
InChIInChI=1S/C15H26N4O3S/c1-3-4-12-9-19(11-14-16-6-7-17-14)10-13(12)18-15(20)5-8-23(2,21)22/h6-7,12-13H,3-5,8-11H2,1-2H3,(H,16,17)(H,18,20)/t12-,13-/m0/s1
InChIKeyQPKHQGNFQVONLO-STQMWFEESA-N
MW342.47 g/mol
LogP0.56
Rot. Bonds8

About N-[(3R,4S)-1-(1H-imidazol-2-ylmethyl)-4-propylpyrrolidin-3-yl]-3-methylsulfonylpropanamide

N-[(3R,4S)-1-(1H-imidazol-2-ylmethyl)-4-propylpyrrolidin-3-yl]-3-methylsulfonylpropanamide (PubChem CID 86283433) has the molecular formula C15H26N4O3S and a molecular weight of 342.47 g/mol. Its IUPAC name is N-[(3R,4S)-1-(1H-imidazol-2-ylmethyl)-4-propylpyrrolidin-3-yl]-3-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-[(3R,4S)-1-(1H-imidazol-2-ylmethyl)-4-propylpyrrolidin-3-yl]-3-methylsulfonylpropanamide
PubChem CID86283433
Molecular FormulaC15H26N4O3S
Molecular Weight342.47 g/mol
Exact Mass342.17
IUPAC NameN-[(3R,4S)-1-(1H-imidazol-2-ylmethyl)-4-propylpyrrolidin-3-yl]-3-methylsulfonylpropanamide
SMILESCCC[C@H]1CN(Cc2ncc[nH]2)C[C@@H]1NC(=O)CCS(C)(=O)=O
InChIInChI=1S/C15H26N4O3S/c1-3-4-12-9-19(11-14-16-6-7-17-14)10-13(12)18-15(20)5-8-23(2,21)22/h6-7,12-13H,3-5,8-11H2,1-2H3,(H,16,17)(H,18,20)/t12-,13-/m0/s1
InChIKeyQPKHQGNFQVONLO-STQMWFEESA-N
XLogP0.56
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(3R,4S)-1-(1H-imidazol-2-ylmethyl)-4-propylpyrrolidin-3-yl]-3-methylsulfonylpropanamide 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

N-[(3S,4R)-1-(1H-imidazol-5-ylmethyl)-4-propylpyrrolidin-3-yl]-3-methylsulfonylpropanamide
CID 133135547
N-[(3R,4S)-4-cyclopropyl-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-3-(methanesulfonamido)propanamide;dihydrochloride
CID 154898051
(3S,4R)-1-(1H-imidazol-2-ylmethyl)-N,N-dimethyl-4-propylpyrrolidin-3-amine
CID 70763278
N-[(3S,4R)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]-2-pyridin-3-ylacetamide
CID 133114350
2-(5-methylpyrazol-1-yl)-N-[(3S,4R)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]acetamide
CID 133117836
N-[1-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]-3-methylsulfonylpropanamide
CID 156603804
1-ethyl-N-[(3R,4S)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]pyrazole-4-carboxamide;hydrochloride
CID 154899016
1-methyl-N-[(3R,4S)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]pyrazole-3-carboxamide;hydrochloride
CID 154897477
N-[(3R,4S)-1-[(3-methyl-2-pyridinyl)methyl]-4-propylpyrrolidin-3-yl]-2-methylsulfanylacetamide
CID 72839443
[1-(1H-imidazol-2-ylmethyl)azetidin-3-yl]methanol
CID 130604179
(3aS,6aR)-2-(1H-imidazol-2-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol
CID 110126527
2-(2,5-dioxoimidazolidin-1-yl)-N-[(3R,4S)-4-propyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]acetamide;dihydrochloride
CID 154897661

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-1-(1H-imidazol-2-ylmethyl)-4-propylpyrrolidin-3-yl]-3-methylsulfonylpropanamide?
The IUPAC name of N-[(3R,4S)-1-(1H-imidazol-2-ylmethyl)-4-propylpyrrolidin-3-yl]-3-methylsulfonylpropanamide (CID 86283433) is N-[(3R,4S)-1-(1H-imidazol-2-ylmethyl)-4-propylpyrrolidin-3-yl]-3-methylsulfonylpropanamide.
What is the SMILES notation for N-[(3R,4S)-1-(1H-imidazol-2-ylmethyl)-4-propylpyrrolidin-3-yl]-3-methylsulfonylpropanamide?
The canonical SMILES for N-[(3R,4S)-1-(1H-imidazol-2-ylmethyl)-4-propylpyrrolidin-3-yl]-3-methylsulfonylpropanamide is CCC[C@H]1CN(Cc2ncc[nH]2)C[C@@H]1NC(=O)CCS(C)(=O)=O.
What is the InChIKey of N-[(3R,4S)-1-(1H-imidazol-2-ylmethyl)-4-propylpyrrolidin-3-yl]-3-methylsulfonylpropanamide?
The InChIKey is QPKHQGNFQVONLO-STQMWFEESA-N. The full InChI is InChI=1S/C15H26N4O3S/c1-3-4-12-9-19(11-14-16-6-7-17-14)10-13(12)18-15(20)5-8-23(2,21)22/h6-7,12-13H,3-5,8-11H2,1-2H3,(H,16,17)(H,18,20)/t12-,13-/m0/s1.
What are the key properties of N-[(3R,4S)-1-(1H-imidazol-2-ylmethyl)-4-propylpyrrolidin-3-yl]-3-methylsulfonylpropanamide?
N-[(3R,4S)-1-(1H-imidazol-2-ylmethyl)-4-propylpyrrolidin-3-yl]-3-methylsulfonylpropanamide has a molecular weight of 342.47 g/mol, XLogP of 0.56, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-1-(1H-imidazol-2-ylmethyl)-4-propylpyrrolidin-3-yl]-3-methylsulfonylpropanamide is sourced from PubChem (CID 86283433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).