[5-oxo-1-(piperidin-4-ylmethyl)pyrrolidin-3-yl]methanesulfonyl fluoride

C11H19FN2O3S — CID 168676384

IUPAC[5-oxo-1-(piperidin-4-ylmethyl)pyrrolidin-3-yl]methanesulfonyl fluoride
SMILESO=C1CC(CS(=O)(=O)F)CN1CC1CCNCC1
InChIInChI=1S/C11H19FN2O3S/c12-18(16,17)8-10-5-11(15)14(7-10)6-9-1-3-13-4-2-9/h9-10,13H,1-8H2
InChIKeyFEXDZXGGQVUCKA-UHFFFAOYSA-N
MW278.35 g/mol
LogP0.13
Rot. Bonds4

About [5-oxo-1-(piperidin-4-ylmethyl)pyrrolidin-3-yl]methanesulfonyl fluoride

[5-oxo-1-(piperidin-4-ylmethyl)pyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168676384) has the molecular formula C11H19FN2O3S and a molecular weight of 278.35 g/mol. Its IUPAC name is [5-oxo-1-(piperidin-4-ylmethyl)pyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[5-oxo-1-(piperidin-4-ylmethyl)pyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168676384
Molecular FormulaC11H19FN2O3S
Molecular Weight278.35 g/mol
Exact Mass278.11
IUPAC Name[5-oxo-1-(piperidin-4-ylmethyl)pyrrolidin-3-yl]methanesulfonyl fluoride
SMILESO=C1CC(CS(=O)(=O)F)CN1CC1CCNCC1
InChIInChI=1S/C11H19FN2O3S/c12-18(16,17)8-10-5-11(15)14(7-10)6-9-1-3-13-4-2-9/h9-10,13H,1-8H2
InChIKeyFEXDZXGGQVUCKA-UHFFFAOYSA-N
XLogP0.13
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-oxo-1-(piperidin-4-ylmethyl)pyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [5-oxo-1-(piperidin-4-ylmethyl)pyrrolidin-3-yl]methanesulfonyl fluoride (CID 168676384) is [5-oxo-1-(piperidin-4-ylmethyl)pyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [5-oxo-1-(piperidin-4-ylmethyl)pyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [5-oxo-1-(piperidin-4-ylmethyl)pyrrolidin-3-yl]methanesulfonyl fluoride is O=C1CC(CS(=O)(=O)F)CN1CC1CCNCC1.
What is the InChIKey of [5-oxo-1-(piperidin-4-ylmethyl)pyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is FEXDZXGGQVUCKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FN2O3S/c12-18(16,17)8-10-5-11(15)14(7-10)6-9-1-3-13-4-2-9/h9-10,13H,1-8H2.
What are the key properties of [5-oxo-1-(piperidin-4-ylmethyl)pyrrolidin-3-yl]methanesulfonyl fluoride?
[5-oxo-1-(piperidin-4-ylmethyl)pyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 278.35 g/mol, XLogP of 0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-oxo-1-(piperidin-4-ylmethyl)pyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168676384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).