methyl 1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylpiperidine-4-carboxylate

C13H19N3O6S — CID 7196367

IUPACmethyl 1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylpiperidine-4-carboxylate
SMILESCOC(=O)C1CCN(S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CC1
InChIInChI=1S/C13H19N3O6S/c1-14-8-10(11(17)15(2)13(14)19)23(20,21)16-6-4-9(5-7-16)12(18)22-3/h8-9H,4-7H2,1-3H3
InChIKeyFNIPXNBTJZHYSX-UHFFFAOYSA-N
MW345.38 g/mol
LogP-1.34
Rot. Bonds3

About methyl 1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylpiperidine-4-carboxylate

methyl 1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylpiperidine-4-carboxylate (PubChem CID 7196367) has the molecular formula C13H19N3O6S and a molecular weight of 345.38 g/mol. Its IUPAC name is methyl 1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylpiperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylpiperidine-4-carboxylate
PubChem CID7196367
Molecular FormulaC13H19N3O6S
Molecular Weight345.38 g/mol
Exact Mass345.10
IUPAC Namemethyl 1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylpiperidine-4-carboxylate
SMILESCOC(=O)C1CCN(S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CC1
InChIInChI=1S/C13H19N3O6S/c1-14-8-10(11(17)15(2)13(14)19)23(20,21)16-6-4-9(5-7-16)12(18)22-3/h8-9H,4-7H2,1-3H3
InChIKeyFNIPXNBTJZHYSX-UHFFFAOYSA-N
XLogP-1.34
TPSA107.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 5-1.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylpiperidine-4-carboxylate?
The IUPAC name of methyl 1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylpiperidine-4-carboxylate (CID 7196367) is methyl 1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylpiperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylpiperidine-4-carboxylate?
The canonical SMILES for methyl 1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylpiperidine-4-carboxylate is COC(=O)C1CCN(S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CC1.
What is the InChIKey of methyl 1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylpiperidine-4-carboxylate?
The InChIKey is FNIPXNBTJZHYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O6S/c1-14-8-10(11(17)15(2)13(14)19)23(20,21)16-6-4-9(5-7-16)12(18)22-3/h8-9H,4-7H2,1-3H3.
What are the key properties of methyl 1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylpiperidine-4-carboxylate?
methyl 1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylpiperidine-4-carboxylate has a molecular weight of 345.38 g/mol, XLogP of -1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylpiperidine-4-carboxylate is sourced from PubChem (CID 7196367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).