methyl 2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl-methylamino]acetate

C8H11N3O6S — CID 43624235

IUPACmethyl 2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl-methylamino]acetate
SMILESCOC(=O)CN(C)S(=O)(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H11N3O6S/c1-11(4-6(12)17-2)18(15,16)5-3-9-8(14)10-7(5)13/h3H,4H2,1-2H3,(H2,9,10,13,14)
InChIKeySCFFTMHILUKMNF-UHFFFAOYSA-N
MW277.26 g/mol
LogP-2.14
Rot. Bonds4

About methyl 2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl-methylamino]acetate

methyl 2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl-methylamino]acetate (PubChem CID 43624235) has the molecular formula C8H11N3O6S and a molecular weight of 277.26 g/mol. Its IUPAC name is methyl 2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl-methylamino]acetate
PubChem CID43624235
Molecular FormulaC8H11N3O6S
Molecular Weight277.26 g/mol
Exact Mass277.04
IUPAC Namemethyl 2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl-methylamino]acetate
SMILESCOC(=O)CN(C)S(=O)(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H11N3O6S/c1-11(4-6(12)17-2)18(15,16)5-3-9-8(14)10-7(5)13/h3H,4H2,1-2H3,(H2,9,10,13,14)
InChIKeySCFFTMHILUKMNF-UHFFFAOYSA-N
XLogP-2.14
TPSA129.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.26
LogP ≤ 5-2.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl-methylamino]acetate?
The IUPAC name of methyl 2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl-methylamino]acetate (CID 43624235) is methyl 2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl-methylamino]acetate.
What is the SMILES notation for methyl 2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl-methylamino]acetate?
The canonical SMILES for methyl 2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl-methylamino]acetate is COC(=O)CN(C)S(=O)(=O)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of methyl 2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl-methylamino]acetate?
The InChIKey is SCFFTMHILUKMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O6S/c1-11(4-6(12)17-2)18(15,16)5-3-9-8(14)10-7(5)13/h3H,4H2,1-2H3,(H2,9,10,13,14).
What are the key properties of methyl 2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl-methylamino]acetate?
methyl 2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl-methylamino]acetate has a molecular weight of 277.26 g/mol, XLogP of -2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl-methylamino]acetate is sourced from PubChem (CID 43624235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).