[(2S,4S)-4-fluoro-1-[1-(2-methylpropyl)imidazol-4-yl]sulfonylpyrrolidin-2-yl]methanol

C12H20FN3O3S — CID 128977215

IUPAC[(2S,4S)-4-fluoro-1-[1-(2-methylpropyl)imidazol-4-yl]sulfonylpyrrolidin-2-yl]methanol
SMILESCC(C)Cn1cnc(S(=O)(=O)N2C[C@@H](F)C[C@H]2CO)c1
InChIInChI=1S/C12H20FN3O3S/c1-9(2)4-15-6-12(14-8-15)20(18,19)16-5-10(13)3-11(16)7-17/h6,8-11,17H,3-5,7H2,1-2H3/t10-,11-/m0/s1
InChIKeyCDFJLNYQIFPXEE-QWRGUYRKSA-N
MW305.38 g/mol
LogP0.63
Rot. Bonds5

About [(2S,4S)-4-fluoro-1-[1-(2-methylpropyl)imidazol-4-yl]sulfonylpyrrolidin-2-yl]methanol

[(2S,4S)-4-fluoro-1-[1-(2-methylpropyl)imidazol-4-yl]sulfonylpyrrolidin-2-yl]methanol (PubChem CID 128977215) has the molecular formula C12H20FN3O3S and a molecular weight of 305.38 g/mol. Its IUPAC name is [(2S,4S)-4-fluoro-1-[1-(2-methylpropyl)imidazol-4-yl]sulfonylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4S)-4-fluoro-1-[1-(2-methylpropyl)imidazol-4-yl]sulfonylpyrrolidin-2-yl]methanol
PubChem CID128977215
Molecular FormulaC12H20FN3O3S
Molecular Weight305.38 g/mol
Exact Mass305.12
IUPAC Name[(2S,4S)-4-fluoro-1-[1-(2-methylpropyl)imidazol-4-yl]sulfonylpyrrolidin-2-yl]methanol
SMILESCC(C)Cn1cnc(S(=O)(=O)N2C[C@@H](F)C[C@H]2CO)c1
InChIInChI=1S/C12H20FN3O3S/c1-9(2)4-15-6-12(14-8-15)20(18,19)16-5-10(13)3-11(16)7-17/h6,8-11,17H,3-5,7H2,1-2H3/t10-,11-/m0/s1
InChIKeyCDFJLNYQIFPXEE-QWRGUYRKSA-N
XLogP0.63
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-4-fluoro-1-[1-(2-methylpropyl)imidazol-4-yl]sulfonylpyrrolidin-2-yl]methanol?
The IUPAC name of [(2S,4S)-4-fluoro-1-[1-(2-methylpropyl)imidazol-4-yl]sulfonylpyrrolidin-2-yl]methanol (CID 128977215) is [(2S,4S)-4-fluoro-1-[1-(2-methylpropyl)imidazol-4-yl]sulfonylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S,4S)-4-fluoro-1-[1-(2-methylpropyl)imidazol-4-yl]sulfonylpyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S,4S)-4-fluoro-1-[1-(2-methylpropyl)imidazol-4-yl]sulfonylpyrrolidin-2-yl]methanol is CC(C)Cn1cnc(S(=O)(=O)N2C[C@@H](F)C[C@H]2CO)c1.
What is the InChIKey of [(2S,4S)-4-fluoro-1-[1-(2-methylpropyl)imidazol-4-yl]sulfonylpyrrolidin-2-yl]methanol?
The InChIKey is CDFJLNYQIFPXEE-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H20FN3O3S/c1-9(2)4-15-6-12(14-8-15)20(18,19)16-5-10(13)3-11(16)7-17/h6,8-11,17H,3-5,7H2,1-2H3/t10-,11-/m0/s1.
What are the key properties of [(2S,4S)-4-fluoro-1-[1-(2-methylpropyl)imidazol-4-yl]sulfonylpyrrolidin-2-yl]methanol?
[(2S,4S)-4-fluoro-1-[1-(2-methylpropyl)imidazol-4-yl]sulfonylpyrrolidin-2-yl]methanol has a molecular weight of 305.38 g/mol, XLogP of 0.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-4-fluoro-1-[1-(2-methylpropyl)imidazol-4-yl]sulfonylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 128977215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).