5-(3,5-dimethylpiperidin-1-yl)sulfonyl-6-methyl-1H-pyrimidine-2,4-dione

C12H19N3O4S — CID 22521113

IUPAC5-(3,5-dimethylpiperidin-1-yl)sulfonyl-6-methyl-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CC(C)CC(C)C1
InChIInChI=1S/C12H19N3O4S/c1-7-4-8(2)6-15(5-7)20(18,19)10-9(3)13-12(17)14-11(10)16/h7-8H,4-6H2,1-3H3,(H2,13,14,16,17)
InChIKeyDIMIOMZHTHITGA-UHFFFAOYSA-N
MW301.37 g/mol
LogP0.04
Rot. Bonds2

About 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-6-methyl-1H-pyrimidine-2,4-dione

5-(3,5-dimethylpiperidin-1-yl)sulfonyl-6-methyl-1H-pyrimidine-2,4-dione (PubChem CID 22521113) has the molecular formula C12H19N3O4S and a molecular weight of 301.37 g/mol. Its IUPAC name is 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-6-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(3,5-dimethylpiperidin-1-yl)sulfonyl-6-methyl-1H-pyrimidine-2,4-dione
PubChem CID22521113
Molecular FormulaC12H19N3O4S
Molecular Weight301.37 g/mol
Exact Mass301.11
IUPAC Name5-(3,5-dimethylpiperidin-1-yl)sulfonyl-6-methyl-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CC(C)CC(C)C1
InChIInChI=1S/C12H19N3O4S/c1-7-4-8(2)6-15(5-7)20(18,19)10-9(3)13-12(17)14-11(10)16/h7-8H,4-6H2,1-3H3,(H2,13,14,16,17)
InChIKeyDIMIOMZHTHITGA-UHFFFAOYSA-N
XLogP0.04
TPSA103.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-6-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-6-methyl-1H-pyrimidine-2,4-dione (CID 22521113) is 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-6-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-6-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-6-methyl-1H-pyrimidine-2,4-dione is Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CC(C)CC(C)C1.
What is the InChIKey of 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-6-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is DIMIOMZHTHITGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4S/c1-7-4-8(2)6-15(5-7)20(18,19)10-9(3)13-12(17)14-11(10)16/h7-8H,4-6H2,1-3H3,(H2,13,14,16,17).
What are the key properties of 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-6-methyl-1H-pyrimidine-2,4-dione?
5-(3,5-dimethylpiperidin-1-yl)sulfonyl-6-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 301.37 g/mol, XLogP of 0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-6-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 22521113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).