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

C11H18FNO4S — CID 168674967

IUPAC[1-(oxan-2-ylmethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESO=C1CC(CS(=O)(=O)F)CN1CC1CCCCO1
InChIInChI=1S/C11H18FNO4S/c12-18(15,16)8-9-5-11(14)13(6-9)7-10-3-1-2-4-17-10/h9-10H,1-8H2
InChIKeyWHHKLTPCHXDICZ-UHFFFAOYSA-N
MW279.33 g/mol
LogP0.70
Rot. Bonds4

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

[1-(oxan-2-ylmethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168674967) has the molecular formula C11H18FNO4S and a molecular weight of 279.33 g/mol. Its IUPAC name is [1-(oxan-2-ylmethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[1-(oxan-2-ylmethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168674967
Molecular FormulaC11H18FNO4S
Molecular Weight279.33 g/mol
Exact Mass279.09
IUPAC Name[1-(oxan-2-ylmethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESO=C1CC(CS(=O)(=O)F)CN1CC1CCCCO1
InChIInChI=1S/C11H18FNO4S/c12-18(15,16)8-9-5-11(14)13(6-9)7-10-3-1-2-4-17-10/h9-10H,1-8H2
InChIKeyWHHKLTPCHXDICZ-UHFFFAOYSA-N
XLogP0.70
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(oxan-2-ylmethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [1-(oxan-2-ylmethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (CID 168674967) is [1-(oxan-2-ylmethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [1-(oxan-2-ylmethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [1-(oxan-2-ylmethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is O=C1CC(CS(=O)(=O)F)CN1CC1CCCCO1.
What is the InChIKey of [1-(oxan-2-ylmethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is WHHKLTPCHXDICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FNO4S/c12-18(15,16)8-9-5-11(14)13(6-9)7-10-3-1-2-4-17-10/h9-10H,1-8H2.
What are the key properties of [1-(oxan-2-ylmethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
[1-(oxan-2-ylmethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 279.33 g/mol, XLogP of 0.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(oxan-2-ylmethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168674967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).