N-[1-(5-fluoropyrimidin-4-yl)piperidin-3-yl]-N-methylmethanesulfonamide

C11H17FN4O2S — CID 154582475

IUPACN-[1-(5-fluoropyrimidin-4-yl)piperidin-3-yl]-N-methylmethanesulfonamide
SMILESCN(C1CCCN(c2ncncc2F)C1)S(C)(=O)=O
InChIInChI=1S/C11H17FN4O2S/c1-15(19(2,17)18)9-4-3-5-16(7-9)11-10(12)6-13-8-14-11/h6,8-9H,3-5,7H2,1-2H3
InChIKeyRGFXENBXHHNCBW-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.48
Rot. Bonds3

About N-[1-(5-fluoropyrimidin-4-yl)piperidin-3-yl]-N-methylmethanesulfonamide

N-[1-(5-fluoropyrimidin-4-yl)piperidin-3-yl]-N-methylmethanesulfonamide (PubChem CID 154582475) has the molecular formula C11H17FN4O2S and a molecular weight of 288.35 g/mol. Its IUPAC name is N-[1-(5-fluoropyrimidin-4-yl)piperidin-3-yl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[1-(5-fluoropyrimidin-4-yl)piperidin-3-yl]-N-methylmethanesulfonamide
PubChem CID154582475
Molecular FormulaC11H17FN4O2S
Molecular Weight288.35 g/mol
Exact Mass288.11
IUPAC NameN-[1-(5-fluoropyrimidin-4-yl)piperidin-3-yl]-N-methylmethanesulfonamide
SMILESCN(C1CCCN(c2ncncc2F)C1)S(C)(=O)=O
InChIInChI=1S/C11H17FN4O2S/c1-15(19(2,17)18)9-4-3-5-16(7-9)11-10(12)6-13-8-14-11/h6,8-9H,3-5,7H2,1-2H3
InChIKeyRGFXENBXHHNCBW-UHFFFAOYSA-N
XLogP0.48
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-fluoropyrimidin-4-yl)piperidin-3-yl]-N-methylmethanesulfonamide?
The IUPAC name of N-[1-(5-fluoropyrimidin-4-yl)piperidin-3-yl]-N-methylmethanesulfonamide (CID 154582475) is N-[1-(5-fluoropyrimidin-4-yl)piperidin-3-yl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[1-(5-fluoropyrimidin-4-yl)piperidin-3-yl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[1-(5-fluoropyrimidin-4-yl)piperidin-3-yl]-N-methylmethanesulfonamide is CN(C1CCCN(c2ncncc2F)C1)S(C)(=O)=O.
What is the InChIKey of N-[1-(5-fluoropyrimidin-4-yl)piperidin-3-yl]-N-methylmethanesulfonamide?
The InChIKey is RGFXENBXHHNCBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN4O2S/c1-15(19(2,17)18)9-4-3-5-16(7-9)11-10(12)6-13-8-14-11/h6,8-9H,3-5,7H2,1-2H3.
What are the key properties of N-[1-(5-fluoropyrimidin-4-yl)piperidin-3-yl]-N-methylmethanesulfonamide?
N-[1-(5-fluoropyrimidin-4-yl)piperidin-3-yl]-N-methylmethanesulfonamide has a molecular weight of 288.35 g/mol, XLogP of 0.48, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-fluoropyrimidin-4-yl)piperidin-3-yl]-N-methylmethanesulfonamide is sourced from PubChem (CID 154582475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).