[1-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

C13H23FN2O4S — CID 168676383

IUPAC[1-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESO=C1CC(CS(=O)(=O)F)CN1CC1CCN(CCO)CC1
InChIInChI=1S/C13H23FN2O4S/c14-21(19,20)10-12-7-13(18)16(9-12)8-11-1-3-15(4-2-11)5-6-17/h11-12,17H,1-10H2
InChIKeyOFDJDHKPYYODPL-UHFFFAOYSA-N
MW322.40 g/mol
LogP-0.16
Rot. Bonds6

About [1-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

[1-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168676383) has the molecular formula C13H23FN2O4S and a molecular weight of 322.40 g/mol. Its IUPAC name is [1-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[1-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168676383
Molecular FormulaC13H23FN2O4S
Molecular Weight322.40 g/mol
Exact Mass322.14
IUPAC Name[1-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESO=C1CC(CS(=O)(=O)F)CN1CC1CCN(CCO)CC1
InChIInChI=1S/C13H23FN2O4S/c14-21(19,20)10-12-7-13(18)16(9-12)8-11-1-3-15(4-2-11)5-6-17/h11-12,17H,1-10H2
InChIKeyOFDJDHKPYYODPL-UHFFFAOYSA-N
XLogP-0.16
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-1-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]pyrrolidin-2-one
CID 168688520
tert-butyl 4-[[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]methyl]piperidine-1-carboxylate
CID 168675080
[5-oxo-1-(3-pyrrolidin-1-ylpropyl)pyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676412
[1-[(1-cyclopentylpiperidin-3-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674958
4-(chloromethyl)-1-[(1-propylpiperidin-4-yl)methyl]pyrrolidin-2-one
CID 168507094
tert-butyl 2-[[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]methyl]pyrrolidine-1-carboxylate
CID 168674677
[1-[1-(2-hydroxyethyl)pyrazol-4-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677743
[1-[(2-hydroxyphenyl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676615
5-oxo-1-[(1-propylpiperidin-4-yl)methyl]pyrrolidine-3-carboxylic acid
CID 168690563
4-(chloromethyl)-1-[(1-methylpiperidin-4-yl)methyl]pyrrolidin-2-one
CID 168507284
methyl 5-oxo-1-[(1-propylpiperidin-4-yl)methyl]pyrrolidine-3-carboxylate
CID 168693086
[1-[2-(2-hydroxypropylamino)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674730

Frequently Asked Questions

What is the IUPAC name of [1-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [1-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (CID 168676383) is [1-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [1-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [1-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is O=C1CC(CS(=O)(=O)F)CN1CC1CCN(CCO)CC1.
What is the InChIKey of [1-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is OFDJDHKPYYODPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23FN2O4S/c14-21(19,20)10-12-7-13(18)16(9-12)8-11-1-3-15(4-2-11)5-6-17/h11-12,17H,1-10H2.
What are the key properties of [1-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
[1-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 322.40 g/mol, XLogP of -0.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168676383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).