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

C14H22N4O4S — CID 146074487

IUPACN-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]cyclopropanesulfonamide
SMILESCOc1cc(OC)nc(N2CCC(NS(=O)(=O)C3CC3)CC2)n1
InChIInChI=1S/C14H22N4O4S/c1-21-12-9-13(22-2)16-14(15-12)18-7-5-10(6-8-18)17-23(19,20)11-3-4-11/h9-11,17H,3-8H2,1-2H3
InChIKeyDCNUTOMWDRGDJC-UHFFFAOYSA-N
MW342.42 g/mol
LogP0.54
Rot. Bonds6

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

N-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]cyclopropanesulfonamide (PubChem CID 146074487) has the molecular formula C14H22N4O4S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]cyclopropanesulfonamide
PubChem CID146074487
Molecular FormulaC14H22N4O4S
Molecular Weight342.42 g/mol
Exact Mass342.14
IUPAC NameN-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]cyclopropanesulfonamide
SMILESCOc1cc(OC)nc(N2CCC(NS(=O)(=O)C3CC3)CC2)n1
InChIInChI=1S/C14H22N4O4S/c1-21-12-9-13(22-2)16-14(15-12)18-7-5-10(6-8-18)17-23(19,20)11-3-4-11/h9-11,17H,3-8H2,1-2H3
InChIKeyDCNUTOMWDRGDJC-UHFFFAOYSA-N
XLogP0.54
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]cyclopropanesulfonamide?
The IUPAC name of N-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]cyclopropanesulfonamide (CID 146074487) is N-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]cyclopropanesulfonamide.
What is the SMILES notation for N-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]cyclopropanesulfonamide?
The canonical SMILES for N-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]cyclopropanesulfonamide is COc1cc(OC)nc(N2CCC(NS(=O)(=O)C3CC3)CC2)n1.
What is the InChIKey of N-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]cyclopropanesulfonamide?
The InChIKey is DCNUTOMWDRGDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O4S/c1-21-12-9-13(22-2)16-14(15-12)18-7-5-10(6-8-18)17-23(19,20)11-3-4-11/h9-11,17H,3-8H2,1-2H3.
What are the key properties of N-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]cyclopropanesulfonamide?
N-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]cyclopropanesulfonamide has a molecular weight of 342.42 g/mol, XLogP of 0.54, 6 rotatable bonds, 1 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]cyclopropanesulfonamide is sourced from PubChem (CID 146074487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).