N-[2-oxo-2-(3-pyrimidin-4-ylpiperidin-1-yl)ethyl]methanesulfonamide

C12H18N4O3S — CID 110096368

IUPACN-[2-oxo-2-(3-pyrimidin-4-ylpiperidin-1-yl)ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCC(=O)N1CCCC(c2ccncn2)C1
InChIInChI=1S/C12H18N4O3S/c1-20(18,19)15-7-12(17)16-6-2-3-10(8-16)11-4-5-13-9-14-11/h4-5,9-10,15H,2-3,6-8H2,1H3
InChIKeyOJBODNGFLRKORI-UHFFFAOYSA-N
MW298.37 g/mol
LogP-0.27
Rot. Bonds4

About N-[2-oxo-2-(3-pyrimidin-4-ylpiperidin-1-yl)ethyl]methanesulfonamide

N-[2-oxo-2-(3-pyrimidin-4-ylpiperidin-1-yl)ethyl]methanesulfonamide (PubChem CID 110096368) has the molecular formula C12H18N4O3S and a molecular weight of 298.37 g/mol. Its IUPAC name is N-[2-oxo-2-(3-pyrimidin-4-ylpiperidin-1-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-oxo-2-(3-pyrimidin-4-ylpiperidin-1-yl)ethyl]methanesulfonamide
PubChem CID110096368
Molecular FormulaC12H18N4O3S
Molecular Weight298.37 g/mol
Exact Mass298.11
IUPAC NameN-[2-oxo-2-(3-pyrimidin-4-ylpiperidin-1-yl)ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCC(=O)N1CCCC(c2ccncn2)C1
InChIInChI=1S/C12H18N4O3S/c1-20(18,19)15-7-12(17)16-6-2-3-10(8-16)11-4-5-13-9-14-11/h4-5,9-10,15H,2-3,6-8H2,1H3
InChIKeyOJBODNGFLRKORI-UHFFFAOYSA-N
XLogP-0.27
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-methylpyrazol-3-yl)-1-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]propan-1-one
CID 124989317
2-(4-methoxyphenyl)-1-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]ethanone
CID 124965599
(3R)-N-(2-methyl-2-pyrrolidin-1-ylpropyl)-3-pyrimidin-4-ylpiperidine-1-carboxamide
CID 126445256
N-(4-fluorophenyl)-6-[1-[2-(methanesulfonamido)acetyl]piperidin-3-yl]pyridine-3-carboxamide
CID 110264257
2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]ethanone
CID 124964626
2-(2-methoxyphenyl)-1-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]ethanone
CID 124971378
N-[2-oxo-2-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]ethyl]methanesulfonamide
CID 110256642
1-(3-pyrimidin-4-ylpiperidin-1-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 110114925
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(3-pyrimidin-4-ylpiperidin-1-yl)ethanone
CID 110096420
2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-(3-pyrimidin-4-ylpiperidin-1-yl)ethanone
CID 110096396
4-phenoxy-1-(3-pyrimidin-4-ylpiperidin-1-yl)butan-1-one
CID 90651078
N-[2-oxo-2-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethyl]methanesulfonamide
CID 110271111

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(3-pyrimidin-4-ylpiperidin-1-yl)ethyl]methanesulfonamide?
The IUPAC name of N-[2-oxo-2-(3-pyrimidin-4-ylpiperidin-1-yl)ethyl]methanesulfonamide (CID 110096368) is N-[2-oxo-2-(3-pyrimidin-4-ylpiperidin-1-yl)ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-oxo-2-(3-pyrimidin-4-ylpiperidin-1-yl)ethyl]methanesulfonamide?
The canonical SMILES for N-[2-oxo-2-(3-pyrimidin-4-ylpiperidin-1-yl)ethyl]methanesulfonamide is CS(=O)(=O)NCC(=O)N1CCCC(c2ccncn2)C1.
What is the InChIKey of N-[2-oxo-2-(3-pyrimidin-4-ylpiperidin-1-yl)ethyl]methanesulfonamide?
The InChIKey is OJBODNGFLRKORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3S/c1-20(18,19)15-7-12(17)16-6-2-3-10(8-16)11-4-5-13-9-14-11/h4-5,9-10,15H,2-3,6-8H2,1H3.
What are the key properties of N-[2-oxo-2-(3-pyrimidin-4-ylpiperidin-1-yl)ethyl]methanesulfonamide?
N-[2-oxo-2-(3-pyrimidin-4-ylpiperidin-1-yl)ethyl]methanesulfonamide has a molecular weight of 298.37 g/mol, XLogP of -0.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(3-pyrimidin-4-ylpiperidin-1-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 110096368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).