[5-oxo-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidin-3-yl]methanesulfonyl fluoride

C14H25FN2O3S — CID 168675135

IUPAC[5-oxo-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCC1(C)CC(N2CC(CS(=O)(=O)F)CC2=O)CC(C)(C)N1
InChIInChI=1S/C14H25FN2O3S/c1-13(2)6-11(7-14(3,4)16-13)17-8-10(5-12(17)18)9-21(15,19)20/h10-11,16H,5-9H2,1-4H3
InChIKeyGXMPZWWJKNVFCL-UHFFFAOYSA-N
MW320.43 g/mol
LogP1.44
Rot. Bonds3

About [5-oxo-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidin-3-yl]methanesulfonyl fluoride

[5-oxo-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168675135) has the molecular formula C14H25FN2O3S and a molecular weight of 320.43 g/mol. Its IUPAC name is [5-oxo-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[5-oxo-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168675135
Molecular FormulaC14H25FN2O3S
Molecular Weight320.43 g/mol
Exact Mass320.16
IUPAC Name[5-oxo-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCC1(C)CC(N2CC(CS(=O)(=O)F)CC2=O)CC(C)(C)N1
InChIInChI=1S/C14H25FN2O3S/c1-13(2)6-11(7-14(3,4)16-13)17-8-10(5-12(17)18)9-21(15,19)20/h10-11,16H,5-9H2,1-4H3
InChIKeyGXMPZWWJKNVFCL-UHFFFAOYSA-N
XLogP1.44
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-oxo-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [5-oxo-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidin-3-yl]methanesulfonyl fluoride (CID 168675135) is [5-oxo-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [5-oxo-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [5-oxo-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidin-3-yl]methanesulfonyl fluoride is CC1(C)CC(N2CC(CS(=O)(=O)F)CC2=O)CC(C)(C)N1.
What is the InChIKey of [5-oxo-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is GXMPZWWJKNVFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25FN2O3S/c1-13(2)6-11(7-14(3,4)16-13)17-8-10(5-12(17)18)9-21(15,19)20/h10-11,16H,5-9H2,1-4H3.
What are the key properties of [5-oxo-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidin-3-yl]methanesulfonyl fluoride?
[5-oxo-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 320.43 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-oxo-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168675135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).