N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]methanesulfonamide

C12H20N4O2S — CID 73167998

IUPACN-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]methanesulfonamide
SMILESCc1cc(N2CCCCC2)nc(CNS(C)(=O)=O)n1
InChIInChI=1S/C12H20N4O2S/c1-10-8-12(16-6-4-3-5-7-16)15-11(14-10)9-13-19(2,17)18/h8,13H,3-7,9H2,1-2H3
InChIKeyFSPYERHJPDIPCO-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.82
Rot. Bonds4

About N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]methanesulfonamide

N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]methanesulfonamide (PubChem CID 73167998) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]methanesulfonamide
PubChem CID73167998
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC NameN-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]methanesulfonamide
SMILESCc1cc(N2CCCCC2)nc(CNS(C)(=O)=O)n1
InChIInChI=1S/C12H20N4O2S/c1-10-8-12(16-6-4-3-5-7-16)15-11(14-10)9-13-19(2,17)18/h8,13H,3-7,9H2,1-2H3
InChIKeyFSPYERHJPDIPCO-UHFFFAOYSA-N
XLogP0.82
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]methanesulfonamide?
The IUPAC name of N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]methanesulfonamide (CID 73167998) is N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]methanesulfonamide.
What is the SMILES notation for N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]methanesulfonamide?
The canonical SMILES for N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]methanesulfonamide is Cc1cc(N2CCCCC2)nc(CNS(C)(=O)=O)n1.
What is the InChIKey of N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]methanesulfonamide?
The InChIKey is FSPYERHJPDIPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-10-8-12(16-6-4-3-5-7-16)15-11(14-10)9-13-19(2,17)18/h8,13H,3-7,9H2,1-2H3.
What are the key properties of N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]methanesulfonamide?
N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]methanesulfonamide has a molecular weight of 284.38 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]methanesulfonamide is sourced from PubChem (CID 73167998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).