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

C10H15FN2O3S — CID 168674789

IUPAC[1-(1-cyanobutan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCCC(CC#N)N1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C10H15FN2O3S/c1-2-9(3-4-12)13-6-8(5-10(13)14)7-17(11,15)16/h8-9H,2-3,5-7H2,1H3
InChIKeyVFDWHWPKNZENMY-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.83
Rot. Bonds5

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

[1-(1-cyanobutan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168674789) has the molecular formula C10H15FN2O3S and a molecular weight of 262.31 g/mol. Its IUPAC name is [1-(1-cyanobutan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[1-(1-cyanobutan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168674789
Molecular FormulaC10H15FN2O3S
Molecular Weight262.31 g/mol
Exact Mass262.08
IUPAC Name[1-(1-cyanobutan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCCC(CC#N)N1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C10H15FN2O3S/c1-2-9(3-4-12)13-6-8(5-10(13)14)7-17(11,15)16/h8-9H,2-3,5-7H2,1H3
InChIKeyVFDWHWPKNZENMY-UHFFFAOYSA-N
XLogP0.83
TPSA78.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(1-cyanobutan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [1-(1-cyanobutan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (CID 168674789) is [1-(1-cyanobutan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [1-(1-cyanobutan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [1-(1-cyanobutan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is CCC(CC#N)N1CC(CS(=O)(=O)F)CC1=O.
What is the InChIKey of [1-(1-cyanobutan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is VFDWHWPKNZENMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O3S/c1-2-9(3-4-12)13-6-8(5-10(13)14)7-17(11,15)16/h8-9H,2-3,5-7H2,1H3.
What are the key properties of [1-(1-cyanobutan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
[1-(1-cyanobutan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 262.31 g/mol, XLogP of 0.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-cyanobutan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168674789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).