N-[(3S,4R)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]cyclopropanesulfonamide

C14H24N4O3S — CID 133128421

IUPACN-[(3S,4R)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]cyclopropanesulfonamide
SMILESCc1noc(CN2C[C@@H](NS(=O)(=O)C3CC3)[C@H](C(C)C)C2)n1
InChIInChI=1S/C14H24N4O3S/c1-9(2)12-6-18(8-14-15-10(3)16-21-14)7-13(12)17-22(19,20)11-4-5-11/h9,11-13,17H,4-8H2,1-3H3/t12-,13+/m0/s1
InChIKeyMTHYBVDVQVNSHQ-QWHCGFSZSA-N
MW328.44 g/mol
LogP0.92
Rot. Bonds6

About N-[(3S,4R)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]cyclopropanesulfonamide

N-[(3S,4R)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]cyclopropanesulfonamide (PubChem CID 133128421) has the molecular formula C14H24N4O3S and a molecular weight of 328.44 g/mol. Its IUPAC name is N-[(3S,4R)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[(3S,4R)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]cyclopropanesulfonamide
PubChem CID133128421
Molecular FormulaC14H24N4O3S
Molecular Weight328.44 g/mol
Exact Mass328.16
IUPAC NameN-[(3S,4R)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]cyclopropanesulfonamide
SMILESCc1noc(CN2C[C@@H](NS(=O)(=O)C3CC3)[C@H](C(C)C)C2)n1
InChIInChI=1S/C14H24N4O3S/c1-9(2)12-6-18(8-14-15-10(3)16-21-14)7-13(12)17-22(19,20)11-4-5-11/h9,11-13,17H,4-8H2,1-3H3/t12-,13+/m0/s1
InChIKeyMTHYBVDVQVNSHQ-QWHCGFSZSA-N
XLogP0.92
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-propan-2-ylpyrrolidin-3-amine
CID 156603714
3-methyl-5-[(4-propan-2-ylsulfonylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 163350275
N-[(3R,4S)-1-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-propan-2-ylpyrrolidin-3-yl]cyclobutanecarboxamide
CID 72857325
4-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-ol
CID 130847204
methyl 2-[[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidin-1-yl]methyl]-1,3-oxazole-4-carboxylate
CID 72931528
N-[(3aR,5R,6aR)-2-benzyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]cyclopropanesulfonamide
CID 146073341
5-[[(3R,4S)-3-cyclopropyl-4-(dimethylsulfamoylamino)pyrrolidin-1-yl]methyl]-3-(methoxymethyl)-1,2,4-oxadiazole
CID 133134643
5-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]methyl]-3-methyl-1,2,4-oxadiazole
CID 124803938
1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxylic acid
CID 43414257
5-(7-azabicyclo[2.2.1]heptan-7-ylmethyl)-3-methyl-1,2,4-oxadiazole
CID 126856950
3-cyclopropyl-5-[[(3S,4R)-3-cyclopropyl-4-(dimethylsulfamoylamino)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 72937372
5-[(3-cyclohexyl-1,4-diazepan-1-yl)methyl]-3-methyl-1,2,4-oxadiazole
CID 64950734

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]cyclopropanesulfonamide?
The IUPAC name of N-[(3S,4R)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]cyclopropanesulfonamide (CID 133128421) is N-[(3S,4R)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]cyclopropanesulfonamide.
What is the SMILES notation for N-[(3S,4R)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]cyclopropanesulfonamide?
The canonical SMILES for N-[(3S,4R)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]cyclopropanesulfonamide is Cc1noc(CN2C[C@@H](NS(=O)(=O)C3CC3)[C@H](C(C)C)C2)n1.
What is the InChIKey of N-[(3S,4R)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]cyclopropanesulfonamide?
The InChIKey is MTHYBVDVQVNSHQ-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H24N4O3S/c1-9(2)12-6-18(8-14-15-10(3)16-21-14)7-13(12)17-22(19,20)11-4-5-11/h9,11-13,17H,4-8H2,1-3H3/t12-,13+/m0/s1.
What are the key properties of N-[(3S,4R)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]cyclopropanesulfonamide?
N-[(3S,4R)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]cyclopropanesulfonamide has a molecular weight of 328.44 g/mol, XLogP of 0.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]cyclopropanesulfonamide is sourced from PubChem (CID 133128421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).