1-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]-3-methylpyrrolidin-3-ol

C10H17N3O3S — CID 103357441

IUPAC1-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]-3-methylpyrrolidin-3-ol
SMILESCCc1ncc(S(=O)(=O)N2CCC(C)(O)C2)[nH]1
InChIInChI=1S/C10H17N3O3S/c1-3-8-11-6-9(12-8)17(15,16)13-5-4-10(2,14)7-13/h6,14H,3-5,7H2,1-2H3,(H,11,12)
InChIKeyDUDOKDVKKZYZEP-UHFFFAOYSA-N
MW259.33 g/mol
LogP0.12
Rot. Bonds3

About 1-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]-3-methylpyrrolidin-3-ol

1-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]-3-methylpyrrolidin-3-ol (PubChem CID 103357441) has the molecular formula C10H17N3O3S and a molecular weight of 259.33 g/mol. Its IUPAC name is 1-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]-3-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]-3-methylpyrrolidin-3-ol
PubChem CID103357441
Molecular FormulaC10H17N3O3S
Molecular Weight259.33 g/mol
Exact Mass259.10
IUPAC Name1-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]-3-methylpyrrolidin-3-ol
SMILESCCc1ncc(S(=O)(=O)N2CCC(C)(O)C2)[nH]1
InChIInChI=1S/C10H17N3O3S/c1-3-8-11-6-9(12-8)17(15,16)13-5-4-10(2,14)7-13/h6,14H,3-5,7H2,1-2H3,(H,11,12)
InChIKeyDUDOKDVKKZYZEP-UHFFFAOYSA-N
XLogP0.12
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1H-imidazole-5-sulfonamide
CID 64150068
N-(2,2-difluoroethyl)-2-ethyl-N-(2-hydroxyethyl)-1H-imidazole-5-sulfonamide
CID 107482254
1-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonyl]-4-(trifluoromethyl)piperidin-4-ol
CID 109917916
1-(4-IMIDAZOLYLSULFONYL)-2-n-PROPYLIMIDAZOLE
CID 21565039
2-butyl-N,N-dimethyl-1H-imidazole-5-sulfonamide
CID 21755726
N-(2-hydroxy-4,4-dimethylpentyl)-2-methyl-1H-imidazole-5-sulfonamide
CID 58201813
N-(2-hydroxypentyl)-2-methyl-1H-imidazole-5-sulfonamide
CID 68391675
N-(2-hydroxybutyl)-2-methyl-1H-imidazole-5-sulfonamide
CID 89488973
N-(2-hydroxy-4-methylpentyl)-2-methyl-1H-imidazole-5-sulfonamide
CID 103908429
2-ethyl-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-1H-imidazole-5-sulfonamide
CID 64147266
[1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]pyrrolidin-3-yl]methanamine
CID 64147272
[1-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]pyrrolidin-3-yl]methanamine
CID 64147273

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]-3-methylpyrrolidin-3-ol?
The IUPAC name of 1-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]-3-methylpyrrolidin-3-ol (CID 103357441) is 1-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]-3-methylpyrrolidin-3-ol.
What is the SMILES notation for 1-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]-3-methylpyrrolidin-3-ol?
The canonical SMILES for 1-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]-3-methylpyrrolidin-3-ol is CCc1ncc(S(=O)(=O)N2CCC(C)(O)C2)[nH]1.
What is the InChIKey of 1-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]-3-methylpyrrolidin-3-ol?
The InChIKey is DUDOKDVKKZYZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S/c1-3-8-11-6-9(12-8)17(15,16)13-5-4-10(2,14)7-13/h6,14H,3-5,7H2,1-2H3,(H,11,12).
What are the key properties of 1-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]-3-methylpyrrolidin-3-ol?
1-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]-3-methylpyrrolidin-3-ol has a molecular weight of 259.33 g/mol, XLogP of 0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]-3-methylpyrrolidin-3-ol is sourced from PubChem (CID 103357441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).