N-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]-N-methylcyclopropanesulfonamide

C14H22N4O3S — CID 163349449

IUPACN-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]-N-methylcyclopropanesulfonamide
SMILESCOc1cnc(N2CCC(N(C)S(=O)(=O)C3CC3)CC2)nc1
InChIInChI=1S/C14H22N4O3S/c1-17(22(19,20)13-3-4-13)11-5-7-18(8-6-11)14-15-9-12(21-2)10-16-14/h9-11,13H,3-8H2,1-2H3
InChIKeyPYPHAGSNDNHFMB-UHFFFAOYSA-N
MW326.42 g/mol
LogP0.88
Rot. Bonds5

About N-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]-N-methylcyclopropanesulfonamide

N-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]-N-methylcyclopropanesulfonamide (PubChem CID 163349449) has the molecular formula C14H22N4O3S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]-N-methylcyclopropanesulfonamide.

Molecular Properties

Compound NameN-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]-N-methylcyclopropanesulfonamide
PubChem CID163349449
Molecular FormulaC14H22N4O3S
Molecular Weight326.42 g/mol
Exact Mass326.14
IUPAC NameN-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]-N-methylcyclopropanesulfonamide
SMILESCOc1cnc(N2CCC(N(C)S(=O)(=O)C3CC3)CC2)nc1
InChIInChI=1S/C14H22N4O3S/c1-17(22(19,20)13-3-4-13)11-5-7-18(8-6-11)14-15-9-12(21-2)10-16-14/h9-11,13H,3-8H2,1-2H3
InChIKeyPYPHAGSNDNHFMB-UHFFFAOYSA-N
XLogP0.88
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]-N-methylcyclopropanesulfonamide?
The IUPAC name of N-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]-N-methylcyclopropanesulfonamide (CID 163349449) is N-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]-N-methylcyclopropanesulfonamide.
What is the SMILES notation for N-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]-N-methylcyclopropanesulfonamide?
The canonical SMILES for N-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]-N-methylcyclopropanesulfonamide is COc1cnc(N2CCC(N(C)S(=O)(=O)C3CC3)CC2)nc1.
What is the InChIKey of N-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]-N-methylcyclopropanesulfonamide?
The InChIKey is PYPHAGSNDNHFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3S/c1-17(22(19,20)13-3-4-13)11-5-7-18(8-6-11)14-15-9-12(21-2)10-16-14/h9-11,13H,3-8H2,1-2H3.
What are the key properties of N-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]-N-methylcyclopropanesulfonamide?
N-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]-N-methylcyclopropanesulfonamide has a molecular weight of 326.42 g/mol, XLogP of 0.88, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]-N-methylcyclopropanesulfonamide is sourced from PubChem (CID 163349449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).