5-fluoro-2-piperidin-3-ylsulfonylpyrimidine;hydrochloride

C9H13ClFN3O2S — CID 71643530

IUPAC5-fluoro-2-piperidin-3-ylsulfonylpyrimidine;hydrochloride
SMILESCl.O=S(=O)(c1ncc(F)cn1)C1CCCNC1
InChIInChI=1S/C9H12FN3O2S.ClH/c10-7-4-12-9(13-5-7)16(14,15)8-2-1-3-11-6-8;/h4-5,8,11H,1-3,6H2;1H
InChIKeyFJLJSFYFSSSPNC-UHFFFAOYSA-N
MW281.74 g/mol
LogP0.56
Rot. Bonds2

About 5-fluoro-2-piperidin-3-ylsulfonylpyrimidine;hydrochloride

5-fluoro-2-piperidin-3-ylsulfonylpyrimidine;hydrochloride (PubChem CID 71643530) has the molecular formula C9H13ClFN3O2S and a molecular weight of 281.74 g/mol. Its IUPAC name is 5-fluoro-2-piperidin-3-ylsulfonylpyrimidine;hydrochloride.

Molecular Properties

Compound Name5-fluoro-2-piperidin-3-ylsulfonylpyrimidine;hydrochloride
PubChem CID71643530
Molecular FormulaC9H13ClFN3O2S
Molecular Weight281.74 g/mol
Exact Mass281.04
IUPAC Name5-fluoro-2-piperidin-3-ylsulfonylpyrimidine;hydrochloride
SMILESCl.O=S(=O)(c1ncc(F)cn1)C1CCCNC1
InChIInChI=1S/C9H12FN3O2S.ClH/c10-7-4-12-9(13-5-7)16(14,15)8-2-1-3-11-6-8;/h4-5,8,11H,1-3,6H2;1H
InChIKeyFJLJSFYFSSSPNC-UHFFFAOYSA-N
XLogP0.56
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 50.56
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-ylsulfonylpyrimidine;hydrochloride?
The IUPAC name of 5-fluoro-2-piperidin-3-ylsulfonylpyrimidine;hydrochloride (CID 71643530) is 5-fluoro-2-piperidin-3-ylsulfonylpyrimidine;hydrochloride.
What is the SMILES notation for 5-fluoro-2-piperidin-3-ylsulfonylpyrimidine;hydrochloride?
The canonical SMILES for 5-fluoro-2-piperidin-3-ylsulfonylpyrimidine;hydrochloride is Cl.O=S(=O)(c1ncc(F)cn1)C1CCCNC1.
What is the InChIKey of 5-fluoro-2-piperidin-3-ylsulfonylpyrimidine;hydrochloride?
The InChIKey is FJLJSFYFSSSPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3O2S.ClH/c10-7-4-12-9(13-5-7)16(14,15)8-2-1-3-11-6-8;/h4-5,8,11H,1-3,6H2;1H.
What are the key properties of 5-fluoro-2-piperidin-3-ylsulfonylpyrimidine;hydrochloride?
5-fluoro-2-piperidin-3-ylsulfonylpyrimidine;hydrochloride has a molecular weight of 281.74 g/mol, XLogP of 0.56, 2 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-ylsulfonylpyrimidine;hydrochloride is sourced from PubChem (CID 71643530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).