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

C13H23FN2O3S — CID 168674780

IUPAC[1-[2-(2-methylpiperidin-1-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCC1CCCCN1CCN1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C13H23FN2O3S/c1-11-4-2-3-5-15(11)6-7-16-9-12(8-13(16)17)10-20(14,18)19/h11-12H,2-10H2,1H3
InChIKeyJIXIDURDRANJTF-UHFFFAOYSA-N
MW306.40 g/mol
LogP1.01
Rot. Bonds5

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

[1-[2-(2-methylpiperidin-1-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168674780) has the molecular formula C13H23FN2O3S and a molecular weight of 306.40 g/mol. Its IUPAC name is [1-[2-(2-methylpiperidin-1-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[1-[2-(2-methylpiperidin-1-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168674780
Molecular FormulaC13H23FN2O3S
Molecular Weight306.40 g/mol
Exact Mass306.14
IUPAC Name[1-[2-(2-methylpiperidin-1-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCC1CCCCN1CCN1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C13H23FN2O3S/c1-11-4-2-3-5-15(11)6-7-16-9-12(8-13(16)17)10-20(14,18)19/h11-12H,2-10H2,1H3
InChIKeyJIXIDURDRANJTF-UHFFFAOYSA-N
XLogP1.01
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[2-(2-methylpiperidin-1-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [1-[2-(2-methylpiperidin-1-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (CID 168674780) is [1-[2-(2-methylpiperidin-1-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [1-[2-(2-methylpiperidin-1-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [1-[2-(2-methylpiperidin-1-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is CC1CCCCN1CCN1CC(CS(=O)(=O)F)CC1=O.
What is the InChIKey of [1-[2-(2-methylpiperidin-1-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is JIXIDURDRANJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23FN2O3S/c1-11-4-2-3-5-15(11)6-7-16-9-12(8-13(16)17)10-20(14,18)19/h11-12H,2-10H2,1H3.
What are the key properties of [1-[2-(2-methylpiperidin-1-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
[1-[2-(2-methylpiperidin-1-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 306.40 g/mol, XLogP of 1.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(2-methylpiperidin-1-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168674780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).