N-methyl-N-[1-(1-methyl-6-oxopyrimidin-4-yl)piperidin-3-yl]methanesulfonamide

C12H20N4O3S — CID 166601039

IUPACN-methyl-N-[1-(1-methyl-6-oxopyrimidin-4-yl)piperidin-3-yl]methanesulfonamide
SMILESCN(C1CCCN(c2cc(=O)n(C)cn2)C1)S(C)(=O)=O
InChIInChI=1S/C12H20N4O3S/c1-14-9-13-11(7-12(14)17)16-6-4-5-10(8-16)15(2)20(3,18)19/h7,9-10H,4-6,8H2,1-3H3
InChIKeyHXNZRTUBZCQWGS-UHFFFAOYSA-N
MW300.38 g/mol
LogP-0.36
Rot. Bonds3

About N-methyl-N-[1-(1-methyl-6-oxopyrimidin-4-yl)piperidin-3-yl]methanesulfonamide

N-methyl-N-[1-(1-methyl-6-oxopyrimidin-4-yl)piperidin-3-yl]methanesulfonamide (PubChem CID 166601039) has the molecular formula C12H20N4O3S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-methyl-N-[1-(1-methyl-6-oxopyrimidin-4-yl)piperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[1-(1-methyl-6-oxopyrimidin-4-yl)piperidin-3-yl]methanesulfonamide
PubChem CID166601039
Molecular FormulaC12H20N4O3S
Molecular Weight300.38 g/mol
Exact Mass300.13
IUPAC NameN-methyl-N-[1-(1-methyl-6-oxopyrimidin-4-yl)piperidin-3-yl]methanesulfonamide
SMILESCN(C1CCCN(c2cc(=O)n(C)cn2)C1)S(C)(=O)=O
InChIInChI=1S/C12H20N4O3S/c1-14-9-13-11(7-12(14)17)16-6-4-5-10(8-16)15(2)20(3,18)19/h7,9-10H,4-6,8H2,1-3H3
InChIKeyHXNZRTUBZCQWGS-UHFFFAOYSA-N
XLogP-0.36
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 5-0.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(5-fluoro-2-pyridinyl)piperidin-3-yl]-N-methylmethanesulfonamide
CID 166603265
N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]methanesulfonamide
CID 166603584
N-methyl-N-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-3-yl]methanesulfonamide
CID 166603510
N-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)piperidin-3-yl]methanesulfonamide
CID 166603271
3-methyl-6-[3-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]pyrimidin-4-one
CID 166600731
6-(3-fluoroazetidin-1-yl)-3-methylpyrimidin-4-one
CID 171999304
4-[3-(dimethylamino)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136957980
N-methyl-N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]methanesulfonamide
CID 172893524
3-methyl-6-(1,4-oxazepan-4-yl)pyrimidin-4-one
CID 134160396
N-methyl-N-[(4R)-1-pyrimidin-2-ylazepan-4-yl]methanesulfonamide
CID 95811456
N-[1-(6-cyclobutylpyrimidin-4-yl)piperidin-4-yl]-N-methylmethanesulfonamide
CID 171335953
N-methyl-N-(1-pyridin-2-ylpiperidin-3-yl)ethanesulfonamide
CID 110107181

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-(1-methyl-6-oxopyrimidin-4-yl)piperidin-3-yl]methanesulfonamide?
The IUPAC name of N-methyl-N-[1-(1-methyl-6-oxopyrimidin-4-yl)piperidin-3-yl]methanesulfonamide (CID 166601039) is N-methyl-N-[1-(1-methyl-6-oxopyrimidin-4-yl)piperidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[1-(1-methyl-6-oxopyrimidin-4-yl)piperidin-3-yl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[1-(1-methyl-6-oxopyrimidin-4-yl)piperidin-3-yl]methanesulfonamide is CN(C1CCCN(c2cc(=O)n(C)cn2)C1)S(C)(=O)=O.
What is the InChIKey of N-methyl-N-[1-(1-methyl-6-oxopyrimidin-4-yl)piperidin-3-yl]methanesulfonamide?
The InChIKey is HXNZRTUBZCQWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3S/c1-14-9-13-11(7-12(14)17)16-6-4-5-10(8-16)15(2)20(3,18)19/h7,9-10H,4-6,8H2,1-3H3.
What are the key properties of N-methyl-N-[1-(1-methyl-6-oxopyrimidin-4-yl)piperidin-3-yl]methanesulfonamide?
N-methyl-N-[1-(1-methyl-6-oxopyrimidin-4-yl)piperidin-3-yl]methanesulfonamide has a molecular weight of 300.38 g/mol, XLogP of -0.36, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-(1-methyl-6-oxopyrimidin-4-yl)piperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 166601039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).