5-fluoro-2-(piperidin-3-ylmethylsulfonyl)pyrimidine

C10H14FN3O2S — CID 71643541

IUPAC5-fluoro-2-(piperidin-3-ylmethylsulfonyl)pyrimidine
SMILESO=S(=O)(CC1CCCNC1)c1ncc(F)cn1
InChIInChI=1S/C10H14FN3O2S/c11-9-5-13-10(14-6-9)17(15,16)7-8-2-1-3-12-4-8/h5-6,8,12H,1-4,7H2
InChIKeyVMRKBIHUMYLFCG-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.39
Rot. Bonds3

About 5-fluoro-2-(piperidin-3-ylmethylsulfonyl)pyrimidine

5-fluoro-2-(piperidin-3-ylmethylsulfonyl)pyrimidine (PubChem CID 71643541) has the molecular formula C10H14FN3O2S and a molecular weight of 259.31 g/mol. Its IUPAC name is 5-fluoro-2-(piperidin-3-ylmethylsulfonyl)pyrimidine.

Molecular Properties

Compound Name5-fluoro-2-(piperidin-3-ylmethylsulfonyl)pyrimidine
PubChem CID71643541
Molecular FormulaC10H14FN3O2S
Molecular Weight259.31 g/mol
Exact Mass259.08
IUPAC Name5-fluoro-2-(piperidin-3-ylmethylsulfonyl)pyrimidine
SMILESO=S(=O)(CC1CCCNC1)c1ncc(F)cn1
InChIInChI=1S/C10H14FN3O2S/c11-9-5-13-10(14-6-9)17(15,16)7-8-2-1-3-12-4-8/h5-6,8,12H,1-4,7H2
InChIKeyVMRKBIHUMYLFCG-UHFFFAOYSA-N
XLogP0.39
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(piperidin-3-ylmethylsulfonyl)pyrimidine?
The IUPAC name of 5-fluoro-2-(piperidin-3-ylmethylsulfonyl)pyrimidine (CID 71643541) is 5-fluoro-2-(piperidin-3-ylmethylsulfonyl)pyrimidine.
What is the SMILES notation for 5-fluoro-2-(piperidin-3-ylmethylsulfonyl)pyrimidine?
The canonical SMILES for 5-fluoro-2-(piperidin-3-ylmethylsulfonyl)pyrimidine is O=S(=O)(CC1CCCNC1)c1ncc(F)cn1.
What is the InChIKey of 5-fluoro-2-(piperidin-3-ylmethylsulfonyl)pyrimidine?
The InChIKey is VMRKBIHUMYLFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O2S/c11-9-5-13-10(14-6-9)17(15,16)7-8-2-1-3-12-4-8/h5-6,8,12H,1-4,7H2.
What are the key properties of 5-fluoro-2-(piperidin-3-ylmethylsulfonyl)pyrimidine?
5-fluoro-2-(piperidin-3-ylmethylsulfonyl)pyrimidine has a molecular weight of 259.31 g/mol, XLogP of 0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(piperidin-3-ylmethylsulfonyl)pyrimidine is sourced from PubChem (CID 71643541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).