N-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]-N-methylcyclopropanesulfonamide

C15H24N4O4S — CID 163349547

IUPACN-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]-N-methylcyclopropanesulfonamide
SMILESCOc1cc(OC)nc(N2CCC(N(C)S(=O)(=O)C3CC3)CC2)n1
InChIInChI=1S/C15H24N4O4S/c1-18(24(20,21)12-4-5-12)11-6-8-19(9-7-11)15-16-13(22-2)10-14(17-15)23-3/h10-12H,4-9H2,1-3H3
InChIKeyMJOKYCMUNUEQAJ-UHFFFAOYSA-N
MW356.45 g/mol
LogP0.89
Rot. Bonds6

About N-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]-N-methylcyclopropanesulfonamide

N-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]-N-methylcyclopropanesulfonamide (PubChem CID 163349547) has the molecular formula C15H24N4O4S and a molecular weight of 356.45 g/mol. Its IUPAC name is N-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]-N-methylcyclopropanesulfonamide.

Molecular Properties

Compound NameN-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]-N-methylcyclopropanesulfonamide
PubChem CID163349547
Molecular FormulaC15H24N4O4S
Molecular Weight356.45 g/mol
Exact Mass356.15
IUPAC NameN-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]-N-methylcyclopropanesulfonamide
SMILESCOc1cc(OC)nc(N2CCC(N(C)S(=O)(=O)C3CC3)CC2)n1
InChIInChI=1S/C15H24N4O4S/c1-18(24(20,21)12-4-5-12)11-6-8-19(9-7-11)15-16-13(22-2)10-14(17-15)23-3/h10-12H,4-9H2,1-3H3
InChIKeyMJOKYCMUNUEQAJ-UHFFFAOYSA-N
XLogP0.89
TPSA84.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]-N-methylcyclopropanesulfonamide
CID 163349449
N-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]cyclopropanesulfonamide
CID 146074487
1-(4,6-dimethoxypyrimidin-2-yl)piperidine-4-carbaldehyde
CID 115355577
2-[4-(chloromethyl)piperidin-1-yl]-4,6-dimethoxypyrimidine
CID 113293068
1-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]-N-methylmethanamine
CID 115355317
2-(3-bromopyrrolidin-1-yl)-4,6-dimethoxypyrimidine
CID 115355746
(3R)-1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidin-3-amine
CID 136582876
1-(4,6-dimethoxypyrimidin-2-yl)-N-ethylpiperidin-4-amine
CID 115354664
1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid
CID 115354736
1-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-3-yl]-1,3,3-trimethylurea
CID 171324316
N-methyl-N-[1-(1-methylbenzimidazol-2-yl)piperidin-4-yl]cyclopropanesulfonamide
CID 163349592
N-[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]-N-methylcyclopropanesulfonamide
CID 163346285

Frequently Asked Questions

What is the IUPAC name of N-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]-N-methylcyclopropanesulfonamide?
The IUPAC name of N-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]-N-methylcyclopropanesulfonamide (CID 163349547) is N-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]-N-methylcyclopropanesulfonamide.
What is the SMILES notation for N-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]-N-methylcyclopropanesulfonamide?
The canonical SMILES for N-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]-N-methylcyclopropanesulfonamide is COc1cc(OC)nc(N2CCC(N(C)S(=O)(=O)C3CC3)CC2)n1.
What is the InChIKey of N-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]-N-methylcyclopropanesulfonamide?
The InChIKey is MJOKYCMUNUEQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O4S/c1-18(24(20,21)12-4-5-12)11-6-8-19(9-7-11)15-16-13(22-2)10-14(17-15)23-3/h10-12H,4-9H2,1-3H3.
What are the key properties of N-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]-N-methylcyclopropanesulfonamide?
N-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]-N-methylcyclopropanesulfonamide has a molecular weight of 356.45 g/mol, XLogP of 0.89, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]-N-methylcyclopropanesulfonamide is sourced from PubChem (CID 163349547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).