5-[1-[[6-(dimethylamino)-3-pyridinyl]sulfonyl]pyrrolidin-2-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine

C15H22N6O3S — CID 126803187

IUPAC5-[1-[[6-(dimethylamino)-3-pyridinyl]sulfonyl]pyrrolidin-2-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
SMILESCN(C)c1ccc(S(=O)(=O)N2CCCC2c2nc(N(C)C)no2)cn1
InChIInChI=1S/C15H22N6O3S/c1-19(2)13-8-7-11(10-16-13)25(22,23)21-9-5-6-12(21)14-17-15(18-24-14)20(3)4/h7-8,10,12H,5-6,9H2,1-4H3
InChIKeyRPSRIPMDIWGTLH-UHFFFAOYSA-N
MW366.45 g/mol
LogP1.12
Rot. Bonds5

About 5-[1-[[6-(dimethylamino)-3-pyridinyl]sulfonyl]pyrrolidin-2-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine

5-[1-[[6-(dimethylamino)-3-pyridinyl]sulfonyl]pyrrolidin-2-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine (PubChem CID 126803187) has the molecular formula C15H22N6O3S and a molecular weight of 366.45 g/mol. Its IUPAC name is 5-[1-[[6-(dimethylamino)-3-pyridinyl]sulfonyl]pyrrolidin-2-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-[1-[[6-(dimethylamino)-3-pyridinyl]sulfonyl]pyrrolidin-2-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
PubChem CID126803187
Molecular FormulaC15H22N6O3S
Molecular Weight366.45 g/mol
Exact Mass366.15
IUPAC Name5-[1-[[6-(dimethylamino)-3-pyridinyl]sulfonyl]pyrrolidin-2-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
SMILESCN(C)c1ccc(S(=O)(=O)N2CCCC2c2nc(N(C)C)no2)cn1
InChIInChI=1S/C15H22N6O3S/c1-19(2)13-8-7-11(10-16-13)25(22,23)21-9-5-6-12(21)14-17-15(18-24-14)20(3)4/h7-8,10,12H,5-6,9H2,1-4H3
InChIKeyRPSRIPMDIWGTLH-UHFFFAOYSA-N
XLogP1.12
TPSA95.67 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[1-[[6-(dimethylamino)-3-pyridinyl]sulfonyl]pyrrolidin-2-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine with MolForge

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Related Compounds

5-[1-(1,3-dimethylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 126803186
5-[1-(1,2-dimethylindol-3-yl)sulfonylpyrrolidin-2-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 126801712
3-methyl-5-[(2S)-1-pyridin-3-ylsulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole
CID 95824618
1-[5-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120861773
3-phenyl-5-[(2S)-1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole
CID 93071699
5-[1-(3-chloro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 53206219
4-[1-(benzenesulfonyl)pyrrolidin-2-yl]-N,N-dimethylpyridin-2-amine
CID 127246771
5-[1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]-3-phenyl-1,2,4-oxadiazole
CID 3930433
3-(4-bromophenyl)-5-[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole
CID 5008973
4-[[6-(dimethylamino)-3-pyridinyl]sulfonyl]morpholine-3-carbonitrile
CID 119040225
5-[1-(benzenesulfonyl)piperidin-2-yl]-3-ethyl-1,2,4-oxadiazole
CID 56728144
5-[(2S)-1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 8795196

Frequently Asked Questions

What is the IUPAC name of 5-[1-[[6-(dimethylamino)-3-pyridinyl]sulfonyl]pyrrolidin-2-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-[1-[[6-(dimethylamino)-3-pyridinyl]sulfonyl]pyrrolidin-2-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine (CID 126803187) is 5-[1-[[6-(dimethylamino)-3-pyridinyl]sulfonyl]pyrrolidin-2-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-[1-[[6-(dimethylamino)-3-pyridinyl]sulfonyl]pyrrolidin-2-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-[1-[[6-(dimethylamino)-3-pyridinyl]sulfonyl]pyrrolidin-2-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine is CN(C)c1ccc(S(=O)(=O)N2CCCC2c2nc(N(C)C)no2)cn1.
What is the InChIKey of 5-[1-[[6-(dimethylamino)-3-pyridinyl]sulfonyl]pyrrolidin-2-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The InChIKey is RPSRIPMDIWGTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O3S/c1-19(2)13-8-7-11(10-16-13)25(22,23)21-9-5-6-12(21)14-17-15(18-24-14)20(3)4/h7-8,10,12H,5-6,9H2,1-4H3.
What are the key properties of 5-[1-[[6-(dimethylamino)-3-pyridinyl]sulfonyl]pyrrolidin-2-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
5-[1-[[6-(dimethylamino)-3-pyridinyl]sulfonyl]pyrrolidin-2-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine has a molecular weight of 366.45 g/mol, XLogP of 1.12, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[[6-(dimethylamino)-3-pyridinyl]sulfonyl]pyrrolidin-2-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 126803187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).