3-cyclopropyl-5-[[(3S,4R)-3-cyclopropyl-4-(dimethylsulfamoylamino)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole

C15H25N5O3S — CID 72937372

IUPAC3-cyclopropyl-5-[[(3S,4R)-3-cyclopropyl-4-(dimethylsulfamoylamino)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCN(C)S(=O)(=O)N[C@H]1CN(Cc2nc(C3CC3)no2)C[C@@H]1C1CC1
InChIInChI=1S/C15H25N5O3S/c1-19(2)24(21,22)18-13-8-20(7-12(13)10-3-4-10)9-14-16-15(17-23-14)11-5-6-11/h10-13,18H,3-9H2,1-2H3/t12-,13+/m1/s1
InChIKeyVUMCSZRUPYEGEQ-OLZOCXBDSA-N
MW355.46 g/mol
LogP0.55
Rot. Bonds7

About 3-cyclopropyl-5-[[(3S,4R)-3-cyclopropyl-4-(dimethylsulfamoylamino)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole

3-cyclopropyl-5-[[(3S,4R)-3-cyclopropyl-4-(dimethylsulfamoylamino)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 72937372) has the molecular formula C15H25N5O3S and a molecular weight of 355.46 g/mol. Its IUPAC name is 3-cyclopropyl-5-[[(3S,4R)-3-cyclopropyl-4-(dimethylsulfamoylamino)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[[(3S,4R)-3-cyclopropyl-4-(dimethylsulfamoylamino)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID72937372
Molecular FormulaC15H25N5O3S
Molecular Weight355.46 g/mol
Exact Mass355.17
IUPAC Name3-cyclopropyl-5-[[(3S,4R)-3-cyclopropyl-4-(dimethylsulfamoylamino)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCN(C)S(=O)(=O)N[C@H]1CN(Cc2nc(C3CC3)no2)C[C@@H]1C1CC1
InChIInChI=1S/C15H25N5O3S/c1-19(2)24(21,22)18-13-8-20(7-12(13)10-3-4-10)9-14-16-15(17-23-14)11-5-6-11/h10-13,18H,3-9H2,1-2H3/t12-,13+/m1/s1
InChIKeyVUMCSZRUPYEGEQ-OLZOCXBDSA-N
XLogP0.55
TPSA91.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-cyclopropyl-5-[[(3S,4R)-3-cyclopropyl-4-(dimethylsulfamoylamino)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole with MolForge

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Launch Full Analysis

Related Compounds

3-cyclopropyl-5-[[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 60500807
(3S,4R)-3-cyclopropyl-4-(dimethylsulfamoylamino)-1-(2-phenoxyethyl)pyrrolidine
CID 72840360
3-cyclopropyl-5-[(4-ethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 47022082
1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylpiperidin-4-amine;hydrochloride
CID 119923772
1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine
CID 43556639
N-[(3S,4R)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]cyclopropanesulfonamide
CID 133128421
1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpiperidin-4-amine;hydrochloride
CID 119925264
N-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide
CID 71872485
methyl 2-[[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidin-1-yl]methyl]-1,3-oxazole-4-carboxylate
CID 72931528
1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxylic acid
CID 56686775
1-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]ethanamine
CID 55216293
(3R,4S)-3-cyclopropyl-4-[[ethyl(methyl)sulfamoyl]amino]-1-[2-(2-oxopyrrolidin-1-yl)ethyl]pyrrolidine
CID 133122570

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[[(3S,4R)-3-cyclopropyl-4-(dimethylsulfamoylamino)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-cyclopropyl-5-[[(3S,4R)-3-cyclopropyl-4-(dimethylsulfamoylamino)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole (CID 72937372) is 3-cyclopropyl-5-[[(3S,4R)-3-cyclopropyl-4-(dimethylsulfamoylamino)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclopropyl-5-[[(3S,4R)-3-cyclopropyl-4-(dimethylsulfamoylamino)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclopropyl-5-[[(3S,4R)-3-cyclopropyl-4-(dimethylsulfamoylamino)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole is CN(C)S(=O)(=O)N[C@H]1CN(Cc2nc(C3CC3)no2)C[C@@H]1C1CC1.
What is the InChIKey of 3-cyclopropyl-5-[[(3S,4R)-3-cyclopropyl-4-(dimethylsulfamoylamino)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is VUMCSZRUPYEGEQ-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H25N5O3S/c1-19(2)24(21,22)18-13-8-20(7-12(13)10-3-4-10)9-14-16-15(17-23-14)11-5-6-11/h10-13,18H,3-9H2,1-2H3/t12-,13+/m1/s1.
What are the key properties of 3-cyclopropyl-5-[[(3S,4R)-3-cyclopropyl-4-(dimethylsulfamoylamino)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole?
3-cyclopropyl-5-[[(3S,4R)-3-cyclopropyl-4-(dimethylsulfamoylamino)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 355.46 g/mol, XLogP of 0.55, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[[(3S,4R)-3-cyclopropyl-4-(dimethylsulfamoylamino)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 72937372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).