4-[4-(oxan-4-yl)pyrimidin-2-yl]piperidine-1-sulfonyl fluoride

C14H20FN3O3S — CID 146102716

IUPAC4-[4-(oxan-4-yl)pyrimidin-2-yl]piperidine-1-sulfonyl fluoride
SMILESO=S(=O)(F)N1CCC(c2nccc(C3CCOCC3)n2)CC1
InChIInChI=1S/C14H20FN3O3S/c15-22(19,20)18-7-2-12(3-8-18)14-16-6-1-13(17-14)11-4-9-21-10-5-11/h1,6,11-12H,2-5,7-10H2
InChIKeyIUALWCFXMXBKRG-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.76
Rot. Bonds3

About 4-[4-(oxan-4-yl)pyrimidin-2-yl]piperidine-1-sulfonyl fluoride

4-[4-(oxan-4-yl)pyrimidin-2-yl]piperidine-1-sulfonyl fluoride (PubChem CID 146102716) has the molecular formula C14H20FN3O3S and a molecular weight of 329.40 g/mol. Its IUPAC name is 4-[4-(oxan-4-yl)pyrimidin-2-yl]piperidine-1-sulfonyl fluoride.

Molecular Properties

Compound Name4-[4-(oxan-4-yl)pyrimidin-2-yl]piperidine-1-sulfonyl fluoride
PubChem CID146102716
Molecular FormulaC14H20FN3O3S
Molecular Weight329.40 g/mol
Exact Mass329.12
IUPAC Name4-[4-(oxan-4-yl)pyrimidin-2-yl]piperidine-1-sulfonyl fluoride
SMILESO=S(=O)(F)N1CCC(c2nccc(C3CCOCC3)n2)CC1
InChIInChI=1S/C14H20FN3O3S/c15-22(19,20)18-7-2-12(3-8-18)14-16-6-1-13(17-14)11-4-9-21-10-5-11/h1,6,11-12H,2-5,7-10H2
InChIKeyIUALWCFXMXBKRG-UHFFFAOYSA-N
XLogP1.76
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(oxan-4-yl)pyrimidin-2-yl]piperidine-1-sulfonyl fluoride?
The IUPAC name of 4-[4-(oxan-4-yl)pyrimidin-2-yl]piperidine-1-sulfonyl fluoride (CID 146102716) is 4-[4-(oxan-4-yl)pyrimidin-2-yl]piperidine-1-sulfonyl fluoride.
What is the SMILES notation for 4-[4-(oxan-4-yl)pyrimidin-2-yl]piperidine-1-sulfonyl fluoride?
The canonical SMILES for 4-[4-(oxan-4-yl)pyrimidin-2-yl]piperidine-1-sulfonyl fluoride is O=S(=O)(F)N1CCC(c2nccc(C3CCOCC3)n2)CC1.
What is the InChIKey of 4-[4-(oxan-4-yl)pyrimidin-2-yl]piperidine-1-sulfonyl fluoride?
The InChIKey is IUALWCFXMXBKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O3S/c15-22(19,20)18-7-2-12(3-8-18)14-16-6-1-13(17-14)11-4-9-21-10-5-11/h1,6,11-12H,2-5,7-10H2.
What are the key properties of 4-[4-(oxan-4-yl)pyrimidin-2-yl]piperidine-1-sulfonyl fluoride?
4-[4-(oxan-4-yl)pyrimidin-2-yl]piperidine-1-sulfonyl fluoride has a molecular weight of 329.40 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(oxan-4-yl)pyrimidin-2-yl]piperidine-1-sulfonyl fluoride is sourced from PubChem (CID 146102716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).