1-ethyl-N-[(3S,4S)-4-hydroxypyrrolidin-3-yl]-N-methylimidazole-4-sulfonamide

C10H18N4O3S — CID 114088856

IUPAC1-ethyl-N-[(3S,4S)-4-hydroxypyrrolidin-3-yl]-N-methylimidazole-4-sulfonamide
SMILESCCn1cnc(S(=O)(=O)N(C)[C@H]2CNC[C@@H]2O)c1
InChIInChI=1S/C10H18N4O3S/c1-3-14-6-10(12-7-14)18(16,17)13(2)8-4-11-5-9(8)15/h6-9,11,15H,3-5H2,1-2H3/t8-,9-/m0/s1
InChIKeyFRSXYLMTJKPPRF-IUCAKERBSA-N
MW274.35 g/mol
LogP-1.14
Rot. Bonds4

About 1-ethyl-N-[(3S,4S)-4-hydroxypyrrolidin-3-yl]-N-methylimidazole-4-sulfonamide

1-ethyl-N-[(3S,4S)-4-hydroxypyrrolidin-3-yl]-N-methylimidazole-4-sulfonamide (PubChem CID 114088856) has the molecular formula C10H18N4O3S and a molecular weight of 274.35 g/mol. Its IUPAC name is 1-ethyl-N-[(3S,4S)-4-hydroxypyrrolidin-3-yl]-N-methylimidazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-[(3S,4S)-4-hydroxypyrrolidin-3-yl]-N-methylimidazole-4-sulfonamide
PubChem CID114088856
Molecular FormulaC10H18N4O3S
Molecular Weight274.35 g/mol
Exact Mass274.11
IUPAC Name1-ethyl-N-[(3S,4S)-4-hydroxypyrrolidin-3-yl]-N-methylimidazole-4-sulfonamide
SMILESCCn1cnc(S(=O)(=O)N(C)[C@H]2CNC[C@@H]2O)c1
InChIInChI=1S/C10H18N4O3S/c1-3-14-6-10(12-7-14)18(16,17)13(2)8-4-11-5-9(8)15/h6-9,11,15H,3-5H2,1-2H3/t8-,9-/m0/s1
InChIKeyFRSXYLMTJKPPRF-IUCAKERBSA-N
XLogP-1.14
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 5-1.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R,2S,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]-N,1-dimethylimidazole-4-sulfonamide
CID 110127818
N-[3-(methylamino)propyl]-1-propan-2-ylimidazole-4-sulfonamide
CID 84598067
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-propan-2-ylimidazole-4-sulfonamide
CID 86801792
1-(1-Propan-2-ylimidazol-4-yl)sulfonyl-3-(trifluoromethyl)pyrrolidin-3-ol
CID 75469699
(3R)-1-(1-propan-2-ylimidazol-4-yl)sulfonyl-3-(trifluoromethyl)pyrrolidin-3-ol
CID 97326481
(3S)-1-(1-propan-2-ylimidazol-4-yl)sulfonyl-3-(trifluoromethyl)pyrrolidin-3-ol
CID 97326482
1-ethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-sulfonamide
CID 103834103
N-(3,3-difluoro-2-hydroxypropyl)-1-ethylimidazole-4-sulfonamide
CID 103836911
2-methyl-1-propyl-N-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-sulfonamide
CID 105649273
N-(3,3-difluoro-2-hydroxypropyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 105649301
[(2S,4S)-4-fluoro-1-(1-propan-2-ylimidazol-4-yl)sulfonylpyrrolidin-2-yl]methanol
CID 128977263
1-methyl-N-(2-pyrrolidin-1-ylethyl)imidazole-4-sulfonamide
CID 15100230

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(3S,4S)-4-hydroxypyrrolidin-3-yl]-N-methylimidazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N-[(3S,4S)-4-hydroxypyrrolidin-3-yl]-N-methylimidazole-4-sulfonamide (CID 114088856) is 1-ethyl-N-[(3S,4S)-4-hydroxypyrrolidin-3-yl]-N-methylimidazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-N-[(3S,4S)-4-hydroxypyrrolidin-3-yl]-N-methylimidazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N-[(3S,4S)-4-hydroxypyrrolidin-3-yl]-N-methylimidazole-4-sulfonamide is CCn1cnc(S(=O)(=O)N(C)[C@H]2CNC[C@@H]2O)c1.
What is the InChIKey of 1-ethyl-N-[(3S,4S)-4-hydroxypyrrolidin-3-yl]-N-methylimidazole-4-sulfonamide?
The InChIKey is FRSXYLMTJKPPRF-IUCAKERBSA-N. The full InChI is InChI=1S/C10H18N4O3S/c1-3-14-6-10(12-7-14)18(16,17)13(2)8-4-11-5-9(8)15/h6-9,11,15H,3-5H2,1-2H3/t8-,9-/m0/s1.
What are the key properties of 1-ethyl-N-[(3S,4S)-4-hydroxypyrrolidin-3-yl]-N-methylimidazole-4-sulfonamide?
1-ethyl-N-[(3S,4S)-4-hydroxypyrrolidin-3-yl]-N-methylimidazole-4-sulfonamide has a molecular weight of 274.35 g/mol, XLogP of -1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(3S,4S)-4-hydroxypyrrolidin-3-yl]-N-methylimidazole-4-sulfonamide is sourced from PubChem (CID 114088856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).