1-(3-imidazol-1-ylpropyl)-5-oxopyrrolidine-3-sulfonyl fluoride

C10H14FN3O3S — CID 168714832

IUPAC1-(3-imidazol-1-ylpropyl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1CCCn1ccnc1
InChIInChI=1S/C10H14FN3O3S/c11-18(16,17)9-6-10(15)14(7-9)4-1-3-13-5-2-12-8-13/h2,5,8-9H,1,3-4,6-7H2
InChIKeyVJBFXMMIQHKXRM-UHFFFAOYSA-N
MW275.30 g/mol
LogP0.17
Rot. Bonds5

About 1-(3-imidazol-1-ylpropyl)-5-oxopyrrolidine-3-sulfonyl fluoride

1-(3-imidazol-1-ylpropyl)-5-oxopyrrolidine-3-sulfonyl fluoride (PubChem CID 168714832) has the molecular formula C10H14FN3O3S and a molecular weight of 275.30 g/mol. Its IUPAC name is 1-(3-imidazol-1-ylpropyl)-5-oxopyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name1-(3-imidazol-1-ylpropyl)-5-oxopyrrolidine-3-sulfonyl fluoride
PubChem CID168714832
Molecular FormulaC10H14FN3O3S
Molecular Weight275.30 g/mol
Exact Mass275.07
IUPAC Name1-(3-imidazol-1-ylpropyl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1CCCn1ccnc1
InChIInChI=1S/C10H14FN3O3S/c11-18(16,17)9-6-10(15)14(7-9)4-1-3-13-5-2-12-8-13/h2,5,8-9H,1,3-4,6-7H2
InChIKeyVJBFXMMIQHKXRM-UHFFFAOYSA-N
XLogP0.17
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-imidazol-1-ylpropyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 1-(3-imidazol-1-ylpropyl)-5-oxopyrrolidine-3-sulfonyl fluoride (CID 168714832) is 1-(3-imidazol-1-ylpropyl)-5-oxopyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 1-(3-imidazol-1-ylpropyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 1-(3-imidazol-1-ylpropyl)-5-oxopyrrolidine-3-sulfonyl fluoride is O=C1CC(S(=O)(=O)F)CN1CCCn1ccnc1.
What is the InChIKey of 1-(3-imidazol-1-ylpropyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The InChIKey is VJBFXMMIQHKXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O3S/c11-18(16,17)9-6-10(15)14(7-9)4-1-3-13-5-2-12-8-13/h2,5,8-9H,1,3-4,6-7H2.
What are the key properties of 1-(3-imidazol-1-ylpropyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
1-(3-imidazol-1-ylpropyl)-5-oxopyrrolidine-3-sulfonyl fluoride has a molecular weight of 275.30 g/mol, XLogP of 0.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-imidazol-1-ylpropyl)-5-oxopyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168714832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).