N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]methanesulfonamide

C11H18N4O3S — CID 136826685

IUPACN-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]methanesulfonamide
SMILESCc1cc(=O)[nH]c(N2CCC(NS(C)(=O)=O)CC2)n1
InChIInChI=1S/C11H18N4O3S/c1-8-7-10(16)13-11(12-8)15-5-3-9(4-6-15)14-19(2,17)18/h7,9,14H,3-6H2,1-2H3,(H,12,13,16)
InChIKeyDDCREIKPMGLJRQ-UHFFFAOYSA-N
MW286.36 g/mol
LogP-0.40
Rot. Bonds3

About N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]methanesulfonamide

N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]methanesulfonamide (PubChem CID 136826685) has the molecular formula C11H18N4O3S and a molecular weight of 286.36 g/mol. Its IUPAC name is N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]methanesulfonamide
PubChem CID136826685
Molecular FormulaC11H18N4O3S
Molecular Weight286.36 g/mol
Exact Mass286.11
IUPAC NameN-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]methanesulfonamide
SMILESCc1cc(=O)[nH]c(N2CCC(NS(C)(=O)=O)CC2)n1
InChIInChI=1S/C11H18N4O3S/c1-8-7-10(16)13-11(12-8)15-5-3-9(4-6-15)14-19(2,17)18/h7,9,14H,3-6H2,1-2H3,(H,12,13,16)
InChIKeyDDCREIKPMGLJRQ-UHFFFAOYSA-N
XLogP-0.40
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-aminopiperidin-1-yl)-6-methylpyrimidin-4(3H)-one dihydrochloride
CID 137017015
1-cyclobutyl-N-[(3S)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-3-yl]methanesulfonamide
CID 164636168
3,3,3-trifluoro-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]propane-1-sulfonamide
CID 136962423
4-methyl-2-(4-methylsulfonylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 135515950
2-[(1-methylsulfinylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
CID 126668694
N-{1-[2-(4-methyl-2,6-dioxo-3,6-dihydropyrimidin-1(2H)-yl)ethyl]piperidin-4-yl}methanesulfonamide
CID 91832192
2-(4-Aminopiperidin-1-yl)-3,6-dimethylpyrimidin-4(3H)-one
CID 97619923
2-piperidin-1-yl-4-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one
CID 136095371
N-{1-[(4-hydroxy-6-methylpyrimidin-2-yl)methyl]piperidin-3-yl}methanesulfonamide
CID 136231993
6-Methyl-2-(piperidin-4-ylamino)-3H-pyrimidin-4-one
CID 136269212
2-(4-aminopiperidin-1-yl)-6-methylpyrimidin-4(3H)-one
CID 136269213
2-[3-(diethylsulfamoylamino)piperidin-1-yl]-4-methyl-6-oxo-1H-pyrimidine
CID 136560585

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]methanesulfonamide?
The IUPAC name of N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]methanesulfonamide (CID 136826685) is N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]methanesulfonamide is Cc1cc(=O)[nH]c(N2CCC(NS(C)(=O)=O)CC2)n1.
What is the InChIKey of N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]methanesulfonamide?
The InChIKey is DDCREIKPMGLJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3S/c1-8-7-10(16)13-11(12-8)15-5-3-9(4-6-15)14-19(2,17)18/h7,9,14H,3-6H2,1-2H3,(H,12,13,16).
What are the key properties of N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]methanesulfonamide?
N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]methanesulfonamide has a molecular weight of 286.36 g/mol, XLogP of -0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 136826685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).