4-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-1,2-dimethylimidazole

C13H17N3O3S — CID 95770618

IUPAC4-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-1,2-dimethylimidazole
SMILESCc1nc(S(=O)(=O)N2CCC[C@H]2c2ccco2)cn1C
InChIInChI=1S/C13H17N3O3S/c1-10-14-13(9-15(10)2)20(17,18)16-7-3-5-11(16)12-6-4-8-19-12/h4,6,8-9,11H,3,5,7H2,1-2H3/t11-/m0/s1
InChIKeyAPPUNSPEHPFYPM-NSHDSACASA-N
MW295.36 g/mol
LogP1.85
Rot. Bonds3

About 4-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-1,2-dimethylimidazole

4-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-1,2-dimethylimidazole (PubChem CID 95770618) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 4-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-1,2-dimethylimidazole.

Molecular Properties

Compound Name4-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-1,2-dimethylimidazole
PubChem CID95770618
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name4-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-1,2-dimethylimidazole
SMILESCc1nc(S(=O)(=O)N2CCC[C@H]2c2ccco2)cn1C
InChIInChI=1S/C13H17N3O3S/c1-10-14-13(9-15(10)2)20(17,18)16-7-3-5-11(16)12-6-4-8-19-12/h4,6,8-9,11H,3,5,7H2,1-2H3/t11-/m0/s1
InChIKeyAPPUNSPEHPFYPM-NSHDSACASA-N
XLogP1.85
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(furan-2-yl)-1-(4-methylphenyl)sulfonylpyrrolidine
CID 51550818
1-(benzenesulfonyl)-2-(furan-2-yl)pyrrolidine
CID 20895729
(2R)-1-(benzenesulfonyl)-2-(furan-2-yl)pyrrolidine
CID 51550819
3-[(2R)-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-2-yl]pyridine
CID 6927843
1-ethyl-4-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-3,5-dimethylpyrazole
CID 95780301
(2S)-2-(furan-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-sulfonamide
CID 96510754
2-[(2R)-1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonylpyrrolidin-2-yl]pyridine
CID 97018175
2-[(2S)-1-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonylpyrrolidin-2-yl]pyridine
CID 124733704
(2R)-2-(furan-2-yl)-1-[(3S)-oxolan-3-yl]sulfonylpyrrolidine
CID 100850865
N-[4-[2-(furan-2-yl)pyrrolidin-1-yl]sulfonylphenyl]acetamide
CID 20895730
(2S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-2-(furan-2-yl)pyrrolidine
CID 99324019
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-2-(furan-2-yl)pyrrolidine
CID 126772153

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-1,2-dimethylimidazole?
The IUPAC name of 4-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-1,2-dimethylimidazole (CID 95770618) is 4-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-1,2-dimethylimidazole.
What is the SMILES notation for 4-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-1,2-dimethylimidazole?
The canonical SMILES for 4-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-1,2-dimethylimidazole is Cc1nc(S(=O)(=O)N2CCC[C@H]2c2ccco2)cn1C.
What is the InChIKey of 4-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-1,2-dimethylimidazole?
The InChIKey is APPUNSPEHPFYPM-NSHDSACASA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-10-14-13(9-15(10)2)20(17,18)16-7-3-5-11(16)12-6-4-8-19-12/h4,6,8-9,11H,3,5,7H2,1-2H3/t11-/m0/s1.
What are the key properties of 4-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-1,2-dimethylimidazole?
4-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-1,2-dimethylimidazole has a molecular weight of 295.36 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-1,2-dimethylimidazole is sourced from PubChem (CID 95770618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).