5-fluoro-4-methylsulfonyl-2-piperidin-1-ylpyrimidine

C10H14FN3O2S — CID 169090064

IUPAC5-fluoro-4-methylsulfonyl-2-piperidin-1-ylpyrimidine
SMILESCS(=O)(=O)c1nc(N2CCCCC2)ncc1F
InChIInChI=1S/C10H14FN3O2S/c1-17(15,16)9-8(11)7-12-10(13-9)14-5-3-2-4-6-14/h7H,2-6H2,1H3
InChIKeyDXKSJQFQGHSLDU-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.01
Rot. Bonds2

About 5-fluoro-4-methylsulfonyl-2-piperidin-1-ylpyrimidine

5-fluoro-4-methylsulfonyl-2-piperidin-1-ylpyrimidine (PubChem CID 169090064) has the molecular formula C10H14FN3O2S and a molecular weight of 259.31 g/mol. Its IUPAC name is 5-fluoro-4-methylsulfonyl-2-piperidin-1-ylpyrimidine.

Molecular Properties

Compound Name5-fluoro-4-methylsulfonyl-2-piperidin-1-ylpyrimidine
PubChem CID169090064
Molecular FormulaC10H14FN3O2S
Molecular Weight259.31 g/mol
Exact Mass259.08
IUPAC Name5-fluoro-4-methylsulfonyl-2-piperidin-1-ylpyrimidine
SMILESCS(=O)(=O)c1nc(N2CCCCC2)ncc1F
InChIInChI=1S/C10H14FN3O2S/c1-17(15,16)9-8(11)7-12-10(13-9)14-5-3-2-4-6-14/h7H,2-6H2,1H3
InChIKeyDXKSJQFQGHSLDU-UHFFFAOYSA-N
XLogP1.01
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-methylsulfonyl-2-piperidin-1-ylpyrimidine?
The IUPAC name of 5-fluoro-4-methylsulfonyl-2-piperidin-1-ylpyrimidine (CID 169090064) is 5-fluoro-4-methylsulfonyl-2-piperidin-1-ylpyrimidine.
What is the SMILES notation for 5-fluoro-4-methylsulfonyl-2-piperidin-1-ylpyrimidine?
The canonical SMILES for 5-fluoro-4-methylsulfonyl-2-piperidin-1-ylpyrimidine is CS(=O)(=O)c1nc(N2CCCCC2)ncc1F.
What is the InChIKey of 5-fluoro-4-methylsulfonyl-2-piperidin-1-ylpyrimidine?
The InChIKey is DXKSJQFQGHSLDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O2S/c1-17(15,16)9-8(11)7-12-10(13-9)14-5-3-2-4-6-14/h7H,2-6H2,1H3.
What are the key properties of 5-fluoro-4-methylsulfonyl-2-piperidin-1-ylpyrimidine?
5-fluoro-4-methylsulfonyl-2-piperidin-1-ylpyrimidine has a molecular weight of 259.31 g/mol, XLogP of 1.01, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-methylsulfonyl-2-piperidin-1-ylpyrimidine is sourced from PubChem (CID 169090064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).