5-fluoro-2-(1-propan-2-ylsulfonylpiperidin-3-yl)oxypyrimidine

C12H18FN3O3S — CID 122258659

IUPAC5-fluoro-2-(1-propan-2-ylsulfonylpiperidin-3-yl)oxypyrimidine
SMILESCC(C)S(=O)(=O)N1CCCC(Oc2ncc(F)cn2)C1
InChIInChI=1S/C12H18FN3O3S/c1-9(2)20(17,18)16-5-3-4-11(8-16)19-12-14-6-10(13)7-15-12/h6-7,9,11H,3-5,8H2,1-2H3
InChIKeyOFSIBZDIDFVMQK-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.20
Rot. Bonds4

About 5-fluoro-2-(1-propan-2-ylsulfonylpiperidin-3-yl)oxypyrimidine

5-fluoro-2-(1-propan-2-ylsulfonylpiperidin-3-yl)oxypyrimidine (PubChem CID 122258659) has the molecular formula C12H18FN3O3S and a molecular weight of 303.36 g/mol. Its IUPAC name is 5-fluoro-2-(1-propan-2-ylsulfonylpiperidin-3-yl)oxypyrimidine.

Molecular Properties

Compound Name5-fluoro-2-(1-propan-2-ylsulfonylpiperidin-3-yl)oxypyrimidine
PubChem CID122258659
Molecular FormulaC12H18FN3O3S
Molecular Weight303.36 g/mol
Exact Mass303.11
IUPAC Name5-fluoro-2-(1-propan-2-ylsulfonylpiperidin-3-yl)oxypyrimidine
SMILESCC(C)S(=O)(=O)N1CCCC(Oc2ncc(F)cn2)C1
InChIInChI=1S/C12H18FN3O3S/c1-9(2)20(17,18)16-5-3-4-11(8-16)19-12-14-6-10(13)7-15-12/h6-7,9,11H,3-5,8H2,1-2H3
InChIKeyOFSIBZDIDFVMQK-UHFFFAOYSA-N
XLogP1.20
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(1-propan-2-ylsulfonylpiperidin-3-yl)oxypyrimidine?
The IUPAC name of 5-fluoro-2-(1-propan-2-ylsulfonylpiperidin-3-yl)oxypyrimidine (CID 122258659) is 5-fluoro-2-(1-propan-2-ylsulfonylpiperidin-3-yl)oxypyrimidine.
What is the SMILES notation for 5-fluoro-2-(1-propan-2-ylsulfonylpiperidin-3-yl)oxypyrimidine?
The canonical SMILES for 5-fluoro-2-(1-propan-2-ylsulfonylpiperidin-3-yl)oxypyrimidine is CC(C)S(=O)(=O)N1CCCC(Oc2ncc(F)cn2)C1.
What is the InChIKey of 5-fluoro-2-(1-propan-2-ylsulfonylpiperidin-3-yl)oxypyrimidine?
The InChIKey is OFSIBZDIDFVMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O3S/c1-9(2)20(17,18)16-5-3-4-11(8-16)19-12-14-6-10(13)7-15-12/h6-7,9,11H,3-5,8H2,1-2H3.
What are the key properties of 5-fluoro-2-(1-propan-2-ylsulfonylpiperidin-3-yl)oxypyrimidine?
5-fluoro-2-(1-propan-2-ylsulfonylpiperidin-3-yl)oxypyrimidine has a molecular weight of 303.36 g/mol, XLogP of 1.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(1-propan-2-ylsulfonylpiperidin-3-yl)oxypyrimidine is sourced from PubChem (CID 122258659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).