[1-[2-(1H-imidazol-2-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

C10H14FN3O3S — CID 168676545

IUPAC[1-[2-(1H-imidazol-2-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESO=C1CC(CS(=O)(=O)F)CN1CCc1ncc[nH]1
InChIInChI=1S/C10H14FN3O3S/c11-18(16,17)7-8-5-10(15)14(6-8)4-1-9-12-2-3-13-9/h2-3,8H,1,4-7H2,(H,12,13)
InChIKeyUPMPVWFHJIVWOM-UHFFFAOYSA-N
MW275.30 g/mol
LogP0.10
Rot. Bonds5

About [1-[2-(1H-imidazol-2-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

[1-[2-(1H-imidazol-2-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168676545) has the molecular formula C10H14FN3O3S and a molecular weight of 275.30 g/mol. Its IUPAC name is [1-[2-(1H-imidazol-2-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[1-[2-(1H-imidazol-2-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168676545
Molecular FormulaC10H14FN3O3S
Molecular Weight275.30 g/mol
Exact Mass275.07
IUPAC Name[1-[2-(1H-imidazol-2-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESO=C1CC(CS(=O)(=O)F)CN1CCc1ncc[nH]1
InChIInChI=1S/C10H14FN3O3S/c11-18(16,17)7-8-5-10(15)14(6-8)4-1-9-12-2-3-13-9/h2-3,8H,1,4-7H2,(H,12,13)
InChIKeyUPMPVWFHJIVWOM-UHFFFAOYSA-N
XLogP0.10
TPSA83.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[2-(1H-imidazol-2-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [1-[2-(1H-imidazol-2-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (CID 168676545) is [1-[2-(1H-imidazol-2-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [1-[2-(1H-imidazol-2-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [1-[2-(1H-imidazol-2-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is O=C1CC(CS(=O)(=O)F)CN1CCc1ncc[nH]1.
What is the InChIKey of [1-[2-(1H-imidazol-2-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is UPMPVWFHJIVWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O3S/c11-18(16,17)7-8-5-10(15)14(6-8)4-1-9-12-2-3-13-9/h2-3,8H,1,4-7H2,(H,12,13).
What are the key properties of [1-[2-(1H-imidazol-2-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
[1-[2-(1H-imidazol-2-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 275.30 g/mol, XLogP of 0.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(1H-imidazol-2-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168676545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).