tert-butyl 2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pentanoate

C14H24FNO5S — CID 168674802

IUPACtert-butyl 2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pentanoate
SMILESCCCC(C(=O)OC(C)(C)C)N1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C14H24FNO5S/c1-5-6-11(13(18)21-14(2,3)4)16-8-10(7-12(16)17)9-22(15,19)20/h10-11H,5-9H2,1-4H3
InChIKeyTWKIKCWRYUTHOT-UHFFFAOYSA-N
MW337.41 g/mol
LogP1.64
Rot. Bonds6

About tert-butyl 2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pentanoate

tert-butyl 2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pentanoate (PubChem CID 168674802) has the molecular formula C14H24FNO5S and a molecular weight of 337.41 g/mol. Its IUPAC name is tert-butyl 2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pentanoate.

Molecular Properties

Compound Nametert-butyl 2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pentanoate
PubChem CID168674802
Molecular FormulaC14H24FNO5S
Molecular Weight337.41 g/mol
Exact Mass337.14
IUPAC Nametert-butyl 2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pentanoate
SMILESCCCC(C(=O)OC(C)(C)C)N1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C14H24FNO5S/c1-5-6-11(13(18)21-14(2,3)4)16-8-10(7-12(16)17)9-22(15,19)20/h10-11H,5-9H2,1-4H3
InChIKeyTWKIKCWRYUTHOT-UHFFFAOYSA-N
XLogP1.64
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pentanoate?
The IUPAC name of tert-butyl 2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pentanoate (CID 168674802) is tert-butyl 2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pentanoate.
What is the SMILES notation for tert-butyl 2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pentanoate?
The canonical SMILES for tert-butyl 2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pentanoate is CCCC(C(=O)OC(C)(C)C)N1CC(CS(=O)(=O)F)CC1=O.
What is the InChIKey of tert-butyl 2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pentanoate?
The InChIKey is TWKIKCWRYUTHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24FNO5S/c1-5-6-11(13(18)21-14(2,3)4)16-8-10(7-12(16)17)9-22(15,19)20/h10-11H,5-9H2,1-4H3.
What are the key properties of tert-butyl 2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pentanoate?
tert-butyl 2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pentanoate has a molecular weight of 337.41 g/mol, XLogP of 1.64, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pentanoate is sourced from PubChem (CID 168674802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).