1,3-dimethyl-2,4-dioxo-N-[2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyrimidine-5-sulfonamide

C13H17F3N4O5S — CID 167945702

IUPAC1,3-dimethyl-2,4-dioxo-N-[2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyrimidine-5-sulfonamide
SMILESCn1cc(S(=O)(=O)NC2CCCN(CC(F)(F)F)C2=O)c(=O)n(C)c1=O
InChIInChI=1S/C13H17F3N4O5S/c1-18-6-9(11(22)19(2)12(18)23)26(24,25)17-8-4-3-5-20(10(8)21)7-13(14,15)16/h6,8,17H,3-5,7H2,1-2H3
InChIKeyRBISQWZMLDOJMD-UHFFFAOYSA-N
MW398.36 g/mol
LogP-1.08
Rot. Bonds4

About 1,3-dimethyl-2,4-dioxo-N-[2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyrimidine-5-sulfonamide

1,3-dimethyl-2,4-dioxo-N-[2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyrimidine-5-sulfonamide (PubChem CID 167945702) has the molecular formula C13H17F3N4O5S and a molecular weight of 398.36 g/mol. Its IUPAC name is 1,3-dimethyl-2,4-dioxo-N-[2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name1,3-dimethyl-2,4-dioxo-N-[2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyrimidine-5-sulfonamide
PubChem CID167945702
Molecular FormulaC13H17F3N4O5S
Molecular Weight398.36 g/mol
Exact Mass398.09
IUPAC Name1,3-dimethyl-2,4-dioxo-N-[2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyrimidine-5-sulfonamide
SMILESCn1cc(S(=O)(=O)NC2CCCN(CC(F)(F)F)C2=O)c(=O)n(C)c1=O
InChIInChI=1S/C13H17F3N4O5S/c1-18-6-9(11(22)19(2)12(18)23)26(24,25)17-8-4-3-5-20(10(8)21)7-13(14,15)16/h6,8,17H,3-5,7H2,1-2H3
InChIKeyRBISQWZMLDOJMD-UHFFFAOYSA-N
XLogP-1.08
TPSA110.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.36
LogP ≤ 5-1.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2,4-dioxo-N-[2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyrimidine-5-sulfonamide?
The IUPAC name of 1,3-dimethyl-2,4-dioxo-N-[2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyrimidine-5-sulfonamide (CID 167945702) is 1,3-dimethyl-2,4-dioxo-N-[2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyrimidine-5-sulfonamide.
What is the SMILES notation for 1,3-dimethyl-2,4-dioxo-N-[2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyrimidine-5-sulfonamide?
The canonical SMILES for 1,3-dimethyl-2,4-dioxo-N-[2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyrimidine-5-sulfonamide is Cn1cc(S(=O)(=O)NC2CCCN(CC(F)(F)F)C2=O)c(=O)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-2,4-dioxo-N-[2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyrimidine-5-sulfonamide?
The InChIKey is RBISQWZMLDOJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N4O5S/c1-18-6-9(11(22)19(2)12(18)23)26(24,25)17-8-4-3-5-20(10(8)21)7-13(14,15)16/h6,8,17H,3-5,7H2,1-2H3.
What are the key properties of 1,3-dimethyl-2,4-dioxo-N-[2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyrimidine-5-sulfonamide?
1,3-dimethyl-2,4-dioxo-N-[2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyrimidine-5-sulfonamide has a molecular weight of 398.36 g/mol, XLogP of -1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2,4-dioxo-N-[2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyrimidine-5-sulfonamide is sourced from PubChem (CID 167945702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).