(2S,4R)-4-fluoro-1-[1-(2-methylpropyl)imidazol-4-yl]sulfonylpyrrolidine-2-carboxamide

C12H19FN4O3S — CID 120916446

IUPAC(2S,4R)-4-fluoro-1-[1-(2-methylpropyl)imidazol-4-yl]sulfonylpyrrolidine-2-carboxamide
SMILESCC(C)Cn1cnc(S(=O)(=O)N2C[C@H](F)C[C@H]2C(N)=O)c1
InChIInChI=1S/C12H19FN4O3S/c1-8(2)4-16-6-11(15-7-16)21(19,20)17-5-9(13)3-10(17)12(14)18/h6-10H,3-5H2,1-2H3,(H2,14,18)/t9-,10+/m1/s1
InChIKeyXWMLWBSVMBMTIQ-ZJUUUORDSA-N
MW318.37 g/mol
LogP0.13
Rot. Bonds5

About (2S,4R)-4-fluoro-1-[1-(2-methylpropyl)imidazol-4-yl]sulfonylpyrrolidine-2-carboxamide

(2S,4R)-4-fluoro-1-[1-(2-methylpropyl)imidazol-4-yl]sulfonylpyrrolidine-2-carboxamide (PubChem CID 120916446) has the molecular formula C12H19FN4O3S and a molecular weight of 318.37 g/mol. Its IUPAC name is (2S,4R)-4-fluoro-1-[1-(2-methylpropyl)imidazol-4-yl]sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-fluoro-1-[1-(2-methylpropyl)imidazol-4-yl]sulfonylpyrrolidine-2-carboxamide
PubChem CID120916446
Molecular FormulaC12H19FN4O3S
Molecular Weight318.37 g/mol
Exact Mass318.12
IUPAC Name(2S,4R)-4-fluoro-1-[1-(2-methylpropyl)imidazol-4-yl]sulfonylpyrrolidine-2-carboxamide
SMILESCC(C)Cn1cnc(S(=O)(=O)N2C[C@H](F)C[C@H]2C(N)=O)c1
InChIInChI=1S/C12H19FN4O3S/c1-8(2)4-16-6-11(15-7-16)21(19,20)17-5-9(13)3-10(17)12(14)18/h6-10H,3-5H2,1-2H3,(H2,14,18)/t9-,10+/m1/s1
InChIKeyXWMLWBSVMBMTIQ-ZJUUUORDSA-N
XLogP0.13
TPSA98.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-fluoro-1-[1-(2-methylpropyl)imidazol-4-yl]sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-4-fluoro-1-[1-(2-methylpropyl)imidazol-4-yl]sulfonylpyrrolidine-2-carboxamide (CID 120916446) is (2S,4R)-4-fluoro-1-[1-(2-methylpropyl)imidazol-4-yl]sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-4-fluoro-1-[1-(2-methylpropyl)imidazol-4-yl]sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-4-fluoro-1-[1-(2-methylpropyl)imidazol-4-yl]sulfonylpyrrolidine-2-carboxamide is CC(C)Cn1cnc(S(=O)(=O)N2C[C@H](F)C[C@H]2C(N)=O)c1.
What is the InChIKey of (2S,4R)-4-fluoro-1-[1-(2-methylpropyl)imidazol-4-yl]sulfonylpyrrolidine-2-carboxamide?
The InChIKey is XWMLWBSVMBMTIQ-ZJUUUORDSA-N. The full InChI is InChI=1S/C12H19FN4O3S/c1-8(2)4-16-6-11(15-7-16)21(19,20)17-5-9(13)3-10(17)12(14)18/h6-10H,3-5H2,1-2H3,(H2,14,18)/t9-,10+/m1/s1.
What are the key properties of (2S,4R)-4-fluoro-1-[1-(2-methylpropyl)imidazol-4-yl]sulfonylpyrrolidine-2-carboxamide?
(2S,4R)-4-fluoro-1-[1-(2-methylpropyl)imidazol-4-yl]sulfonylpyrrolidine-2-carboxamide has a molecular weight of 318.37 g/mol, XLogP of 0.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-fluoro-1-[1-(2-methylpropyl)imidazol-4-yl]sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 120916446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).