N-[(3S,4R)-1-[[5-(1,5-dimethylpyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-4-propylpyrrolidin-3-yl]methanesulfonamide

C17H27N5O3S — CID 70726445

IUPACN-[(3S,4R)-1-[[5-(1,5-dimethylpyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-4-propylpyrrolidin-3-yl]methanesulfonamide
SMILESCCC[C@@H]1CN(Cc2nnc(-c3ccc(C)n3C)o2)C[C@H]1NS(C)(=O)=O
InChIInChI=1S/C17H27N5O3S/c1-5-6-13-9-22(10-14(13)20-26(4,23)24)11-16-18-19-17(25-16)15-8-7-12(2)21(15)3/h7-8,13-14,20H,5-6,9-11H2,1-4H3/t13-,14-/m1/s1
InChIKeyWZUPYMLOHKTXTD-ZIAGYGMSSA-N
MW381.50 g/mol
LogP1.53
Rot. Bonds7

About N-[(3S,4R)-1-[[5-(1,5-dimethylpyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-4-propylpyrrolidin-3-yl]methanesulfonamide

N-[(3S,4R)-1-[[5-(1,5-dimethylpyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-4-propylpyrrolidin-3-yl]methanesulfonamide (PubChem CID 70726445) has the molecular formula C17H27N5O3S and a molecular weight of 381.50 g/mol. Its IUPAC name is N-[(3S,4R)-1-[[5-(1,5-dimethylpyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-4-propylpyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3S,4R)-1-[[5-(1,5-dimethylpyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-4-propylpyrrolidin-3-yl]methanesulfonamide
PubChem CID70726445
Molecular FormulaC17H27N5O3S
Molecular Weight381.50 g/mol
Exact Mass381.18
IUPAC NameN-[(3S,4R)-1-[[5-(1,5-dimethylpyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-4-propylpyrrolidin-3-yl]methanesulfonamide
SMILESCCC[C@@H]1CN(Cc2nnc(-c3ccc(C)n3C)o2)C[C@H]1NS(C)(=O)=O
InChIInChI=1S/C17H27N5O3S/c1-5-6-13-9-22(10-14(13)20-26(4,23)24)11-16-18-19-17(25-16)15-8-7-12(2)21(15)3/h7-8,13-14,20H,5-6,9-11H2,1-4H3/t13-,14-/m1/s1
InChIKeyWZUPYMLOHKTXTD-ZIAGYGMSSA-N
XLogP1.53
TPSA93.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(3S,4R)-1-[[5-(1,5-dimethylpyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-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

Related Compounds

N-[(3S,4R)-1-(1-benzofuran-2-ylmethyl)-4-propylpyrrolidin-3-yl]methanesulfonamide
CID 70771833
N-[(3S,4R)-1-[(2-cyanophenyl)methyl]-4-propylpyrrolidin-3-yl]methanesulfonamide
CID 133130894
(3S,4R)-1-[[5-(1,5-dimethylpyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-4-phenylpiperidin-3-ol
CID 162630244
2-(1,5-dimethylpyrrol-2-yl)-5-[[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 95730107
N-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-propylpyrrolidin-3-yl]methanesulfonamide
CID 156604706
N-(1,3-dimethylpyrazol-4-yl)-2-[(3S,4R)-3-(methanesulfonamido)-4-propylpyrrolidin-1-yl]acetamide
CID 72890020
(3aR,5R,6R,7aS)-2-[[5-(1,5-dimethylpyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-6-[(2-methyl-3-pyridinyl)oxy]-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
CID 176503039
N-[[5-(1,5-dimethylpyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-1-(1-methylsulfonylpiperidin-3-yl)methanamine
CID 50949176
N-[(3S,4R)-4-propyl-1-(3-pyrazol-1-ylpropyl)pyrrolidin-3-yl]methanesulfonamide
CID 133118794
N-[(3S,4R)-1-[(5-acetylthiophen-3-yl)methyl]-4-propylpyrrolidin-3-yl]methanesulfonamide
CID 70742263
2-[[(3R)-3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-5-(1,5-dimethylpyrrol-2-yl)-1,3,4-oxadiazole
CID 95122209
2-(1,5-dimethylpyrrol-2-yl)-5-[[(2R)-2-(4-fluorophenyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 95730501

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-1-[[5-(1,5-dimethylpyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-4-propylpyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of N-[(3S,4R)-1-[[5-(1,5-dimethylpyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-4-propylpyrrolidin-3-yl]methanesulfonamide (CID 70726445) is N-[(3S,4R)-1-[[5-(1,5-dimethylpyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-4-propylpyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[(3S,4R)-1-[[5-(1,5-dimethylpyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-4-propylpyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[(3S,4R)-1-[[5-(1,5-dimethylpyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-4-propylpyrrolidin-3-yl]methanesulfonamide is CCC[C@@H]1CN(Cc2nnc(-c3ccc(C)n3C)o2)C[C@H]1NS(C)(=O)=O.
What is the InChIKey of N-[(3S,4R)-1-[[5-(1,5-dimethylpyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-4-propylpyrrolidin-3-yl]methanesulfonamide?
The InChIKey is WZUPYMLOHKTXTD-ZIAGYGMSSA-N. The full InChI is InChI=1S/C17H27N5O3S/c1-5-6-13-9-22(10-14(13)20-26(4,23)24)11-16-18-19-17(25-16)15-8-7-12(2)21(15)3/h7-8,13-14,20H,5-6,9-11H2,1-4H3/t13-,14-/m1/s1.
What are the key properties of N-[(3S,4R)-1-[[5-(1,5-dimethylpyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-4-propylpyrrolidin-3-yl]methanesulfonamide?
N-[(3S,4R)-1-[[5-(1,5-dimethylpyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-4-propylpyrrolidin-3-yl]methanesulfonamide has a molecular weight of 381.50 g/mol, XLogP of 1.53, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-1-[[5-(1,5-dimethylpyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-4-propylpyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 70726445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).