5-fluoro-2-(4-piperidin-1-ylsulfonylpiperidin-1-yl)pyrimidine

C14H21FN4O2S — CID 146140740

IUPAC5-fluoro-2-(4-piperidin-1-ylsulfonylpiperidin-1-yl)pyrimidine
SMILESO=S(=O)(C1CCN(c2ncc(F)cn2)CC1)N1CCCCC1
InChIInChI=1S/C14H21FN4O2S/c15-12-10-16-14(17-11-12)18-8-4-13(5-9-18)22(20,21)19-6-2-1-3-7-19/h10-11,13H,1-9H2
InChIKeyWEDXABRJTSJOSE-UHFFFAOYSA-N
MW328.41 g/mol
LogP1.40
Rot. Bonds3

About 5-fluoro-2-(4-piperidin-1-ylsulfonylpiperidin-1-yl)pyrimidine

5-fluoro-2-(4-piperidin-1-ylsulfonylpiperidin-1-yl)pyrimidine (PubChem CID 146140740) has the molecular formula C14H21FN4O2S and a molecular weight of 328.41 g/mol. Its IUPAC name is 5-fluoro-2-(4-piperidin-1-ylsulfonylpiperidin-1-yl)pyrimidine.

Molecular Properties

Compound Name5-fluoro-2-(4-piperidin-1-ylsulfonylpiperidin-1-yl)pyrimidine
PubChem CID146140740
Molecular FormulaC14H21FN4O2S
Molecular Weight328.41 g/mol
Exact Mass328.14
IUPAC Name5-fluoro-2-(4-piperidin-1-ylsulfonylpiperidin-1-yl)pyrimidine
SMILESO=S(=O)(C1CCN(c2ncc(F)cn2)CC1)N1CCCCC1
InChIInChI=1S/C14H21FN4O2S/c15-12-10-16-14(17-11-12)18-8-4-13(5-9-18)22(20,21)19-6-2-1-3-7-19/h10-11,13H,1-9H2
InChIKeyWEDXABRJTSJOSE-UHFFFAOYSA-N
XLogP1.40
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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5-fluoro-2-pyrrolidin-1-ylpyrimidine
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4-chloro-1-(5-fluoropyrimidin-2-yl)azepane
CID 130671020
fluoro 1-(5-fluoropyrimidin-2-yl)piperidine-4-carboxylate
CID 175026112
4-methyl-2-(4-piperidin-1-ylsulfonylpiperidin-1-yl)quinazoline
CID 146106523
[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]methanesulfonamide
CID 154736534
N-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]-N-methylmethanesulfonamide
CID 154582481
5-fluoro-2-(4-pyrimidin-2-ylpiperidin-1-yl)pyrimidine
CID 138050657
N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]cyclobutanecarboxamide
CID 91814073
2,4-dimethyl-6-(4-piperidin-1-ylsulfonylpiperidin-1-yl)pyrimidine
CID 138020046
2-(3-chloropyrrolidin-1-yl)-5-fluoropyrimidine
CID 104606673
1-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]ethanol
CID 103826127

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(4-piperidin-1-ylsulfonylpiperidin-1-yl)pyrimidine?
The IUPAC name of 5-fluoro-2-(4-piperidin-1-ylsulfonylpiperidin-1-yl)pyrimidine (CID 146140740) is 5-fluoro-2-(4-piperidin-1-ylsulfonylpiperidin-1-yl)pyrimidine.
What is the SMILES notation for 5-fluoro-2-(4-piperidin-1-ylsulfonylpiperidin-1-yl)pyrimidine?
The canonical SMILES for 5-fluoro-2-(4-piperidin-1-ylsulfonylpiperidin-1-yl)pyrimidine is O=S(=O)(C1CCN(c2ncc(F)cn2)CC1)N1CCCCC1.
What is the InChIKey of 5-fluoro-2-(4-piperidin-1-ylsulfonylpiperidin-1-yl)pyrimidine?
The InChIKey is WEDXABRJTSJOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN4O2S/c15-12-10-16-14(17-11-12)18-8-4-13(5-9-18)22(20,21)19-6-2-1-3-7-19/h10-11,13H,1-9H2.
What are the key properties of 5-fluoro-2-(4-piperidin-1-ylsulfonylpiperidin-1-yl)pyrimidine?
5-fluoro-2-(4-piperidin-1-ylsulfonylpiperidin-1-yl)pyrimidine has a molecular weight of 328.41 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(4-piperidin-1-ylsulfonylpiperidin-1-yl)pyrimidine is sourced from PubChem (CID 146140740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).