methyl 3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyrazine-2-carboxylate

C11H12FN3O5S — CID 168675602

IUPACmethyl 3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyrazine-2-carboxylate
SMILESCOC(=O)c1nccnc1N1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C11H12FN3O5S/c1-20-11(17)9-10(14-3-2-13-9)15-5-7(4-8(15)16)6-21(12,18)19/h2-3,7H,4-6H2,1H3
InChIKeyWKJOGBJTCPUXND-UHFFFAOYSA-N
MW317.30 g/mol
LogP-0.08
Rot. Bonds4

About methyl 3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyrazine-2-carboxylate

methyl 3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyrazine-2-carboxylate (PubChem CID 168675602) has the molecular formula C11H12FN3O5S and a molecular weight of 317.30 g/mol. Its IUPAC name is methyl 3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyrazine-2-carboxylate
PubChem CID168675602
Molecular FormulaC11H12FN3O5S
Molecular Weight317.30 g/mol
Exact Mass317.05
IUPAC Namemethyl 3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyrazine-2-carboxylate
SMILESCOC(=O)c1nccnc1N1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C11H12FN3O5S/c1-20-11(17)9-10(14-3-2-13-9)15-5-7(4-8(15)16)6-21(12,18)19/h2-3,7H,4-6H2,1H3
InChIKeyWKJOGBJTCPUXND-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 3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyrazine-2-carboxylate?
The IUPAC name of methyl 3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyrazine-2-carboxylate (CID 168675602) is methyl 3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyrazine-2-carboxylate?
The canonical SMILES for methyl 3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyrazine-2-carboxylate is COC(=O)c1nccnc1N1CC(CS(=O)(=O)F)CC1=O.
What is the InChIKey of methyl 3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyrazine-2-carboxylate?
The InChIKey is WKJOGBJTCPUXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O5S/c1-20-11(17)9-10(14-3-2-13-9)15-5-7(4-8(15)16)6-21(12,18)19/h2-3,7H,4-6H2,1H3.
What are the key properties of methyl 3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyrazine-2-carboxylate?
methyl 3-[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 3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyrazine-2-carboxylate is sourced from PubChem (CID 168675602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).