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

C9H16FNO3S — CID 168675158

IUPAC[1-(2-methylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCC(C)CN1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C9H16FNO3S/c1-7(2)4-11-5-8(3-9(11)12)6-15(10,13)14/h7-8H,3-6H2,1-2H3
InChIKeyUACPIXZDTWRPJC-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.79
Rot. Bonds4

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

[1-(2-methylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168675158) has the molecular formula C9H16FNO3S and a molecular weight of 237.30 g/mol. Its IUPAC name is [1-(2-methylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[1-(2-methylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168675158
Molecular FormulaC9H16FNO3S
Molecular Weight237.30 g/mol
Exact Mass237.08
IUPAC Name[1-(2-methylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCC(C)CN1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C9H16FNO3S/c1-7(2)4-11-5-8(3-9(11)12)6-15(10,13)14/h7-8H,3-6H2,1-2H3
InChIKeyUACPIXZDTWRPJC-UHFFFAOYSA-N
XLogP0.79
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(2-methylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [1-(2-methylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (CID 168675158) is [1-(2-methylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [1-(2-methylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [1-(2-methylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is CC(C)CN1CC(CS(=O)(=O)F)CC1=O.
What is the InChIKey of [1-(2-methylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is UACPIXZDTWRPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO3S/c1-7(2)4-11-5-8(3-9(11)12)6-15(10,13)14/h7-8H,3-6H2,1-2H3.
What are the key properties of [1-(2-methylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
[1-(2-methylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 237.30 g/mol, XLogP of 0.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168675158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).