5-(4-methylpiperidin-1-yl)sulfonyl-1H-pyrimidine-2,4-dione

C10H15N3O4S — CID 7253858

IUPAC5-(4-methylpiperidin-1-yl)sulfonyl-1H-pyrimidine-2,4-dione
SMILESCC1CCN(S(=O)(=O)c2c[nH]c(=O)[nH]c2=O)CC1
InChIInChI=1S/C10H15N3O4S/c1-7-2-4-13(5-3-7)18(16,17)8-6-11-10(15)12-9(8)14/h6-7H,2-5H2,1H3,(H2,11,12,14,15)
InChIKeyRYDOZWNRNJZFIL-UHFFFAOYSA-N
MW273.31 g/mol
LogP-0.52
Rot. Bonds2

About 5-(4-methylpiperidin-1-yl)sulfonyl-1H-pyrimidine-2,4-dione

5-(4-methylpiperidin-1-yl)sulfonyl-1H-pyrimidine-2,4-dione (PubChem CID 7253858) has the molecular formula C10H15N3O4S and a molecular weight of 273.31 g/mol. Its IUPAC name is 5-(4-methylpiperidin-1-yl)sulfonyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(4-methylpiperidin-1-yl)sulfonyl-1H-pyrimidine-2,4-dione
PubChem CID7253858
Molecular FormulaC10H15N3O4S
Molecular Weight273.31 g/mol
Exact Mass273.08
IUPAC Name5-(4-methylpiperidin-1-yl)sulfonyl-1H-pyrimidine-2,4-dione
SMILESCC1CCN(S(=O)(=O)c2c[nH]c(=O)[nH]c2=O)CC1
InChIInChI=1S/C10H15N3O4S/c1-7-2-4-13(5-3-7)18(16,17)8-6-11-10(15)12-9(8)14/h6-7H,2-5H2,1H3,(H2,11,12,14,15)
InChIKeyRYDOZWNRNJZFIL-UHFFFAOYSA-N
XLogP-0.52
TPSA103.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylpiperidin-1-yl)sulfonyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-(4-methylpiperidin-1-yl)sulfonyl-1H-pyrimidine-2,4-dione (CID 7253858) is 5-(4-methylpiperidin-1-yl)sulfonyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-(4-methylpiperidin-1-yl)sulfonyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-(4-methylpiperidin-1-yl)sulfonyl-1H-pyrimidine-2,4-dione is CC1CCN(S(=O)(=O)c2c[nH]c(=O)[nH]c2=O)CC1.
What is the InChIKey of 5-(4-methylpiperidin-1-yl)sulfonyl-1H-pyrimidine-2,4-dione?
The InChIKey is RYDOZWNRNJZFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4S/c1-7-2-4-13(5-3-7)18(16,17)8-6-11-10(15)12-9(8)14/h6-7H,2-5H2,1H3,(H2,11,12,14,15).
What are the key properties of 5-(4-methylpiperidin-1-yl)sulfonyl-1H-pyrimidine-2,4-dione?
5-(4-methylpiperidin-1-yl)sulfonyl-1H-pyrimidine-2,4-dione has a molecular weight of 273.31 g/mol, XLogP of -0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylpiperidin-1-yl)sulfonyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 7253858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).