N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]methanesulfonamide

C11H17FN4O2S — CID 91814122

IUPACN-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CCN(c2ncc(F)cn2)CC1
InChIInChI=1S/C11H17FN4O2S/c1-19(17,18)15-6-9-2-4-16(5-3-9)11-13-7-10(12)8-14-11/h7-9,15H,2-6H2,1H3
InChIKeyGEXJFBIZAVTBLT-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.38
Rot. Bonds4

About N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]methanesulfonamide

N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]methanesulfonamide (PubChem CID 91814122) has the molecular formula C11H17FN4O2S and a molecular weight of 288.35 g/mol. Its IUPAC name is N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]methanesulfonamide
PubChem CID91814122
Molecular FormulaC11H17FN4O2S
Molecular Weight288.35 g/mol
Exact Mass288.11
IUPAC NameN-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CCN(c2ncc(F)cn2)CC1
InChIInChI=1S/C11H17FN4O2S/c1-19(17,18)15-6-9-2-4-16(5-3-9)11-13-7-10(12)8-14-11/h7-9,15H,2-6H2,1H3
InChIKeyGEXJFBIZAVTBLT-UHFFFAOYSA-N
XLogP0.38
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]methanesulfonamide (CID 91814122) is N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]methanesulfonamide is CS(=O)(=O)NCC1CCN(c2ncc(F)cn2)CC1.
What is the InChIKey of N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]methanesulfonamide?
The InChIKey is GEXJFBIZAVTBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN4O2S/c1-19(17,18)15-6-9-2-4-16(5-3-9)11-13-7-10(12)8-14-11/h7-9,15H,2-6H2,1H3.
What are the key properties of N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]methanesulfonamide?
N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]methanesulfonamide has a molecular weight of 288.35 g/mol, XLogP of 0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]methanesulfonamide is sourced from PubChem (CID 91814122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).