1-(1H-imidazol-2-ylmethyl)-5-oxopyrrolidine-3-sulfonyl fluoride

C8H10FN3O3S — CID 168715105

IUPAC1-(1H-imidazol-2-ylmethyl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1Cc1ncc[nH]1
InChIInChI=1S/C8H10FN3O3S/c9-16(14,15)6-3-8(13)12(4-6)5-7-10-1-2-11-7/h1-2,6H,3-5H2,(H,10,11)
InChIKeyNVKCWMKNGVHLFG-UHFFFAOYSA-N
MW247.25 g/mol
LogP-0.19
Rot. Bonds3

About 1-(1H-imidazol-2-ylmethyl)-5-oxopyrrolidine-3-sulfonyl fluoride

1-(1H-imidazol-2-ylmethyl)-5-oxopyrrolidine-3-sulfonyl fluoride (PubChem CID 168715105) has the molecular formula C8H10FN3O3S and a molecular weight of 247.25 g/mol. Its IUPAC name is 1-(1H-imidazol-2-ylmethyl)-5-oxopyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name1-(1H-imidazol-2-ylmethyl)-5-oxopyrrolidine-3-sulfonyl fluoride
PubChem CID168715105
Molecular FormulaC8H10FN3O3S
Molecular Weight247.25 g/mol
Exact Mass247.04
IUPAC Name1-(1H-imidazol-2-ylmethyl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1Cc1ncc[nH]1
InChIInChI=1S/C8H10FN3O3S/c9-16(14,15)6-3-8(13)12(4-6)5-7-10-1-2-11-7/h1-2,6H,3-5H2,(H,10,11)
InChIKeyNVKCWMKNGVHLFG-UHFFFAOYSA-N
XLogP-0.19
TPSA83.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-2-ylmethyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 1-(1H-imidazol-2-ylmethyl)-5-oxopyrrolidine-3-sulfonyl fluoride (CID 168715105) is 1-(1H-imidazol-2-ylmethyl)-5-oxopyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 1-(1H-imidazol-2-ylmethyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 1-(1H-imidazol-2-ylmethyl)-5-oxopyrrolidine-3-sulfonyl fluoride is O=C1CC(S(=O)(=O)F)CN1Cc1ncc[nH]1.
What is the InChIKey of 1-(1H-imidazol-2-ylmethyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The InChIKey is NVKCWMKNGVHLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN3O3S/c9-16(14,15)6-3-8(13)12(4-6)5-7-10-1-2-11-7/h1-2,6H,3-5H2,(H,10,11).
What are the key properties of 1-(1H-imidazol-2-ylmethyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
1-(1H-imidazol-2-ylmethyl)-5-oxopyrrolidine-3-sulfonyl fluoride has a molecular weight of 247.25 g/mol, XLogP of -0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-2-ylmethyl)-5-oxopyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168715105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).