1-(1-methylimidazol-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride

C8H10FN3O3S — CID 168714700

IUPAC1-(1-methylimidazol-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESCn1ccnc1N1CC(S(=O)(=O)F)CC1=O
InChIInChI=1S/C8H10FN3O3S/c1-11-3-2-10-8(11)12-5-6(4-7(12)13)16(9,14)15/h2-3,6H,4-5H2,1H3
InChIKeyHLWONZIHLZCRRB-UHFFFAOYSA-N
MW247.25 g/mol
LogP-0.18
Rot. Bonds2

About 1-(1-methylimidazol-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride

1-(1-methylimidazol-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride (PubChem CID 168714700) has the molecular formula C8H10FN3O3S and a molecular weight of 247.25 g/mol. Its IUPAC name is 1-(1-methylimidazol-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name1-(1-methylimidazol-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
PubChem CID168714700
Molecular FormulaC8H10FN3O3S
Molecular Weight247.25 g/mol
Exact Mass247.04
IUPAC Name1-(1-methylimidazol-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESCn1ccnc1N1CC(S(=O)(=O)F)CC1=O
InChIInChI=1S/C8H10FN3O3S/c1-11-3-2-10-8(11)12-5-6(4-7(12)13)16(9,14)15/h2-3,6H,4-5H2,1H3
InChIKeyHLWONZIHLZCRRB-UHFFFAOYSA-N
XLogP-0.18
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 5-0.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylimidazol-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 1-(1-methylimidazol-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride (CID 168714700) is 1-(1-methylimidazol-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 1-(1-methylimidazol-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 1-(1-methylimidazol-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride is Cn1ccnc1N1CC(S(=O)(=O)F)CC1=O.
What is the InChIKey of 1-(1-methylimidazol-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The InChIKey is HLWONZIHLZCRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN3O3S/c1-11-3-2-10-8(11)12-5-6(4-7(12)13)16(9,14)15/h2-3,6H,4-5H2,1H3.
What are the key properties of 1-(1-methylimidazol-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride?
1-(1-methylimidazol-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride has a molecular weight of 247.25 g/mol, XLogP of -0.18, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylimidazol-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168714700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).