methyl 5-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyrazine-2-carboxylate

C11H12FN3O5S — CID 168675599

IUPACmethyl 5-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyrazine-2-carboxylate
SMILESCOC(=O)c1cnc(N2CC(CS(=O)(=O)F)CC2=O)cn1
InChIInChI=1S/C11H12FN3O5S/c1-20-11(17)8-3-14-9(4-13-8)15-5-7(2-10(15)16)6-21(12,18)19/h3-4,7H,2,5-6H2,1H3
InChIKeyAAEHBECUNOOHGZ-UHFFFAOYSA-N
MW317.30 g/mol
LogP-0.08
Rot. Bonds4

About methyl 5-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyrazine-2-carboxylate

methyl 5-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyrazine-2-carboxylate (PubChem CID 168675599) has the molecular formula C11H12FN3O5S and a molecular weight of 317.30 g/mol. Its IUPAC name is methyl 5-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyrazine-2-carboxylate
PubChem CID168675599
Molecular FormulaC11H12FN3O5S
Molecular Weight317.30 g/mol
Exact Mass317.05
IUPAC Namemethyl 5-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyrazine-2-carboxylate
SMILESCOC(=O)c1cnc(N2CC(CS(=O)(=O)F)CC2=O)cn1
InChIInChI=1S/C11H12FN3O5S/c1-20-11(17)8-3-14-9(4-13-8)15-5-7(2-10(15)16)6-21(12,18)19/h3-4,7H,2,5-6H2,1H3
InChIKeyAAEHBECUNOOHGZ-UHFFFAOYSA-N
XLogP-0.08
TPSA106.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 5-0.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyrazine-2-carboxylate?
The IUPAC name of methyl 5-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyrazine-2-carboxylate (CID 168675599) is methyl 5-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 5-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyrazine-2-carboxylate?
The canonical SMILES for methyl 5-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyrazine-2-carboxylate is COC(=O)c1cnc(N2CC(CS(=O)(=O)F)CC2=O)cn1.
What is the InChIKey of methyl 5-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyrazine-2-carboxylate?
The InChIKey is AAEHBECUNOOHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O5S/c1-20-11(17)8-3-14-9(4-13-8)15-5-7(2-10(15)16)6-21(12,18)19/h3-4,7H,2,5-6H2,1H3.
What are the key properties of methyl 5-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyrazine-2-carboxylate?
methyl 5-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyrazine-2-carboxylate has a molecular weight of 317.30 g/mol, XLogP of -0.08, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyrazine-2-carboxylate is sourced from PubChem (CID 168675599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).