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

C15H23F3N4O4S — CID 154755015

IUPAC1,3-dimethyl-2,4-dioxo-N-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]pyrimidine-5-sulfonamide
SMILESCC(NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C15H23F3N4O4S/c1-10(11-4-6-22(7-5-11)9-15(16,17)18)19-27(25,26)12-8-20(2)14(24)21(3)13(12)23/h8,10-11,19H,4-7,9H2,1-3H3
InChIKeyOWHFVRFYRBXVPS-UHFFFAOYSA-N
MW412.43 g/mol
LogP0.03
Rot. Bonds5

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

1,3-dimethyl-2,4-dioxo-N-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]pyrimidine-5-sulfonamide (PubChem CID 154755015) has the molecular formula C15H23F3N4O4S and a molecular weight of 412.43 g/mol. Its IUPAC name is 1,3-dimethyl-2,4-dioxo-N-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name1,3-dimethyl-2,4-dioxo-N-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]pyrimidine-5-sulfonamide
PubChem CID154755015
Molecular FormulaC15H23F3N4O4S
Molecular Weight412.43 g/mol
Exact Mass412.14
IUPAC Name1,3-dimethyl-2,4-dioxo-N-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]pyrimidine-5-sulfonamide
SMILESCC(NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C15H23F3N4O4S/c1-10(11-4-6-22(7-5-11)9-15(16,17)18)19-27(25,26)12-8-20(2)14(24)21(3)13(12)23/h8,10-11,19H,4-7,9H2,1-3H3
InChIKeyOWHFVRFYRBXVPS-UHFFFAOYSA-N
XLogP0.03
TPSA93.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.43
LogP ≤ 50.03
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-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]pyrimidine-5-sulfonamide?
The IUPAC name of 1,3-dimethyl-2,4-dioxo-N-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]pyrimidine-5-sulfonamide (CID 154755015) is 1,3-dimethyl-2,4-dioxo-N-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]pyrimidine-5-sulfonamide.
What is the SMILES notation for 1,3-dimethyl-2,4-dioxo-N-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]pyrimidine-5-sulfonamide?
The canonical SMILES for 1,3-dimethyl-2,4-dioxo-N-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]pyrimidine-5-sulfonamide is CC(NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 1,3-dimethyl-2,4-dioxo-N-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]pyrimidine-5-sulfonamide?
The InChIKey is OWHFVRFYRBXVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N4O4S/c1-10(11-4-6-22(7-5-11)9-15(16,17)18)19-27(25,26)12-8-20(2)14(24)21(3)13(12)23/h8,10-11,19H,4-7,9H2,1-3H3.
What are the key properties of 1,3-dimethyl-2,4-dioxo-N-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]pyrimidine-5-sulfonamide?
1,3-dimethyl-2,4-dioxo-N-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]pyrimidine-5-sulfonamide has a molecular weight of 412.43 g/mol, XLogP of 0.03, 5 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-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]pyrimidine-5-sulfonamide is sourced from PubChem (CID 154755015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).