[5-oxo-1-[(3R)-oxolan-3-yl]pyrrolidin-3-yl]methanesulfonyl fluoride

C9H14FNO4S — CID 168675022

IUPAC[5-oxo-1-[(3R)-oxolan-3-yl]pyrrolidin-3-yl]methanesulfonyl fluoride
SMILESO=C1CC(CS(=O)(=O)F)CN1[C@@H]1CCOC1
InChIInChI=1S/C9H14FNO4S/c10-16(13,14)6-7-3-9(12)11(4-7)8-1-2-15-5-8/h7-8H,1-6H2/t7?,8-/m1/s1
InChIKeyNZEMSBUCGZONKK-BRFYHDHCSA-N
MW251.28 g/mol
LogP-0.08
Rot. Bonds3

About [5-oxo-1-[(3R)-oxolan-3-yl]pyrrolidin-3-yl]methanesulfonyl fluoride

[5-oxo-1-[(3R)-oxolan-3-yl]pyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168675022) has the molecular formula C9H14FNO4S and a molecular weight of 251.28 g/mol. Its IUPAC name is [5-oxo-1-[(3R)-oxolan-3-yl]pyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[5-oxo-1-[(3R)-oxolan-3-yl]pyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168675022
Molecular FormulaC9H14FNO4S
Molecular Weight251.28 g/mol
Exact Mass251.06
IUPAC Name[5-oxo-1-[(3R)-oxolan-3-yl]pyrrolidin-3-yl]methanesulfonyl fluoride
SMILESO=C1CC(CS(=O)(=O)F)CN1[C@@H]1CCOC1
InChIInChI=1S/C9H14FNO4S/c10-16(13,14)6-7-3-9(12)11(4-7)8-1-2-15-5-8/h7-8H,1-6H2/t7?,8-/m1/s1
InChIKeyNZEMSBUCGZONKK-BRFYHDHCSA-N
XLogP-0.08
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 5-0.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-oxo-1-[(3R)-oxolan-3-yl]pyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [5-oxo-1-[(3R)-oxolan-3-yl]pyrrolidin-3-yl]methanesulfonyl fluoride (CID 168675022) is [5-oxo-1-[(3R)-oxolan-3-yl]pyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [5-oxo-1-[(3R)-oxolan-3-yl]pyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [5-oxo-1-[(3R)-oxolan-3-yl]pyrrolidin-3-yl]methanesulfonyl fluoride is O=C1CC(CS(=O)(=O)F)CN1[C@@H]1CCOC1.
What is the InChIKey of [5-oxo-1-[(3R)-oxolan-3-yl]pyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is NZEMSBUCGZONKK-BRFYHDHCSA-N. The full InChI is InChI=1S/C9H14FNO4S/c10-16(13,14)6-7-3-9(12)11(4-7)8-1-2-15-5-8/h7-8H,1-6H2/t7?,8-/m1/s1.
What are the key properties of [5-oxo-1-[(3R)-oxolan-3-yl]pyrrolidin-3-yl]methanesulfonyl fluoride?
[5-oxo-1-[(3R)-oxolan-3-yl]pyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 251.28 g/mol, XLogP of -0.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-oxo-1-[(3R)-oxolan-3-yl]pyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168675022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).