[1-(1-methoxybutan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

C10H18FNO4S — CID 168674795

IUPAC[1-(1-methoxybutan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCCC(COC)N1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C10H18FNO4S/c1-3-9(6-16-2)12-5-8(4-10(12)13)7-17(11,14)15/h8-9H,3-7H2,1-2H3
InChIKeyMAFQQPXPYXYLBU-UHFFFAOYSA-N
MW267.32 g/mol
LogP0.56
Rot. Bonds6

About [1-(1-methoxybutan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

[1-(1-methoxybutan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168674795) has the molecular formula C10H18FNO4S and a molecular weight of 267.32 g/mol. Its IUPAC name is [1-(1-methoxybutan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[1-(1-methoxybutan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168674795
Molecular FormulaC10H18FNO4S
Molecular Weight267.32 g/mol
Exact Mass267.09
IUPAC Name[1-(1-methoxybutan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCCC(COC)N1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C10H18FNO4S/c1-3-9(6-16-2)12-5-8(4-10(12)13)7-17(11,14)15/h8-9H,3-7H2,1-2H3
InChIKeyMAFQQPXPYXYLBU-UHFFFAOYSA-N
XLogP0.56
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(1-methoxybutan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [1-(1-methoxybutan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (CID 168674795) is [1-(1-methoxybutan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [1-(1-methoxybutan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [1-(1-methoxybutan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is CCC(COC)N1CC(CS(=O)(=O)F)CC1=O.
What is the InChIKey of [1-(1-methoxybutan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is MAFQQPXPYXYLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO4S/c1-3-9(6-16-2)12-5-8(4-10(12)13)7-17(11,14)15/h8-9H,3-7H2,1-2H3.
What are the key properties of [1-(1-methoxybutan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
[1-(1-methoxybutan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 267.32 g/mol, XLogP of 0.56, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-methoxybutan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168674795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).