ethyl 2-pyrimidin-2-ylsulfonylacetate

C8H10N2O4S — CID 10537407

IUPACethyl 2-pyrimidin-2-ylsulfonylacetate
SMILESCCOC(=O)CS(=O)(=O)c1ncccn1
InChIInChI=1S/C8H10N2O4S/c1-2-14-7(11)6-15(12,13)8-9-4-3-5-10-8/h3-5H,2,6H2,1H3
InChIKeyPDJBPDGUASAIEO-UHFFFAOYSA-N
MW230.24 g/mol
LogP-0.19
Rot. Bonds4

About ethyl 2-pyrimidin-2-ylsulfonylacetate

ethyl 2-pyrimidin-2-ylsulfonylacetate (PubChem CID 10537407) has the molecular formula C8H10N2O4S and a molecular weight of 230.24 g/mol. Its IUPAC name is ethyl 2-pyrimidin-2-ylsulfonylacetate.

Molecular Properties

Compound Nameethyl 2-pyrimidin-2-ylsulfonylacetate
PubChem CID10537407
Molecular FormulaC8H10N2O4S
Molecular Weight230.24 g/mol
Exact Mass230.04
IUPAC Nameethyl 2-pyrimidin-2-ylsulfonylacetate
SMILESCCOC(=O)CS(=O)(=O)c1ncccn1
InChIInChI=1S/C8H10N2O4S/c1-2-14-7(11)6-15(12,13)8-9-4-3-5-10-8/h3-5H,2,6H2,1H3
InChIKeyPDJBPDGUASAIEO-UHFFFAOYSA-N
XLogP-0.19
TPSA86.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 5-0.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(Pyrimidin-2-ylthio)acetic acid
CID 581022
Ethyl (2-pyrimidinylthio)acetate
CID 6465581
Ethyl (z)-3-(pyrimidine-2-ylthio)acrylate
CID 46702585
Ethyl 2-fluoro-2-pyrimidin-2-ylsulfonylacetate
CID 101901729
Ethyl [(4-aminopyrimidin-2-yl)sulfanyl]acetate
CID 69453465
2-(Pyrimidin-2-ylsulfanyl)propanoic acid
CID 23535283
3-(Pyrimidin-2-ylsulfanyl)propanoic acid
CID 9484413
Diethyl [1-(pyrimidine-2-sulfonyl)ethyl]phosphonate
CID 10946756
Diethyl [(pyrimidine-2-sulfonyl)methyl]phosphonate
CID 11044597
2-Ethylsulfonylpyrimidine
CID 20158620
Ethyl 2-fluoro-2-pyrimidin-2-ylsulfanylacetate
CID 10608744
Ethyl 2-fluoro-2-pyrimidin-2-ylsulfonylhexanoate
CID 11460891

Frequently Asked Questions

What is the IUPAC name of ethyl 2-pyrimidin-2-ylsulfonylacetate?
The IUPAC name of ethyl 2-pyrimidin-2-ylsulfonylacetate (CID 10537407) is ethyl 2-pyrimidin-2-ylsulfonylacetate.
What is the SMILES notation for ethyl 2-pyrimidin-2-ylsulfonylacetate?
The canonical SMILES for ethyl 2-pyrimidin-2-ylsulfonylacetate is CCOC(=O)CS(=O)(=O)c1ncccn1.
What is the InChIKey of ethyl 2-pyrimidin-2-ylsulfonylacetate?
The InChIKey is PDJBPDGUASAIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4S/c1-2-14-7(11)6-15(12,13)8-9-4-3-5-10-8/h3-5H,2,6H2,1H3.
What are the key properties of ethyl 2-pyrimidin-2-ylsulfonylacetate?
ethyl 2-pyrimidin-2-ylsulfonylacetate has a molecular weight of 230.24 g/mol, XLogP of -0.19, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-pyrimidin-2-ylsulfonylacetate is sourced from PubChem (CID 10537407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).