ethyl 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]acetate

C10H15N3O6S — CID 7475151

IUPACethyl 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]acetate
SMILESCCOC(=O)CNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C10H15N3O6S/c1-4-19-8(14)5-11-20(17,18)7-6-12(2)10(16)13(3)9(7)15/h6,11H,4-5H2,1-3H3
InChIKeyGGACGRRISDPFFZ-UHFFFAOYSA-N
MW305.31 g/mol
LogP-2.07
Rot. Bonds5

About ethyl 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]acetate

ethyl 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]acetate (PubChem CID 7475151) has the molecular formula C10H15N3O6S and a molecular weight of 305.31 g/mol. Its IUPAC name is ethyl 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]acetate
PubChem CID7475151
Molecular FormulaC10H15N3O6S
Molecular Weight305.31 g/mol
Exact Mass305.07
IUPAC Nameethyl 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]acetate
SMILESCCOC(=O)CNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C10H15N3O6S/c1-4-19-8(14)5-11-20(17,18)7-6-12(2)10(16)13(3)9(7)15/h6,11H,4-5H2,1-3H3
InChIKeyGGACGRRISDPFFZ-UHFFFAOYSA-N
XLogP-2.07
TPSA116.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 5-2.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]acetate?
The IUPAC name of ethyl 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]acetate (CID 7475151) is ethyl 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]acetate.
What is the SMILES notation for ethyl 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]acetate?
The canonical SMILES for ethyl 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]acetate is CCOC(=O)CNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O.
What is the InChIKey of ethyl 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]acetate?
The InChIKey is GGACGRRISDPFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O6S/c1-4-19-8(14)5-11-20(17,18)7-6-12(2)10(16)13(3)9(7)15/h6,11H,4-5H2,1-3H3.
What are the key properties of ethyl 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]acetate?
ethyl 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]acetate has a molecular weight of 305.31 g/mol, XLogP of -2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]acetate is sourced from PubChem (CID 7475151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).