ethyl 2-[(1-ethylpyrazol-4-yl)sulfonylamino]acetate

C9H15N3O4S — CID 19681630

IUPACethyl 2-[(1-ethylpyrazol-4-yl)sulfonylamino]acetate
SMILESCCOC(=O)CNS(=O)(=O)c1cnn(CC)c1
InChIInChI=1S/C9H15N3O4S/c1-3-12-7-8(5-10-12)17(14,15)11-6-9(13)16-4-2/h5,7,11H,3-4,6H2,1-2H3
InChIKeyXEODEUFBLZQWEI-UHFFFAOYSA-N
MW261.30 g/mol
LogP-0.26
Rot. Bonds6

About ethyl 2-[(1-ethylpyrazol-4-yl)sulfonylamino]acetate

ethyl 2-[(1-ethylpyrazol-4-yl)sulfonylamino]acetate (PubChem CID 19681630) has the molecular formula C9H15N3O4S and a molecular weight of 261.30 g/mol. Its IUPAC name is ethyl 2-[(1-ethylpyrazol-4-yl)sulfonylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(1-ethylpyrazol-4-yl)sulfonylamino]acetate
PubChem CID19681630
Molecular FormulaC9H15N3O4S
Molecular Weight261.30 g/mol
Exact Mass261.08
IUPAC Nameethyl 2-[(1-ethylpyrazol-4-yl)sulfonylamino]acetate
SMILESCCOC(=O)CNS(=O)(=O)c1cnn(CC)c1
InChIInChI=1S/C9H15N3O4S/c1-3-12-7-8(5-10-12)17(14,15)11-6-9(13)16-4-2/h5,7,11H,3-4,6H2,1-2H3
InChIKeyXEODEUFBLZQWEI-UHFFFAOYSA-N
XLogP-0.26
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1-ethylpyrazol-4-yl)sulfonylamino]acetate?
The IUPAC name of ethyl 2-[(1-ethylpyrazol-4-yl)sulfonylamino]acetate (CID 19681630) is ethyl 2-[(1-ethylpyrazol-4-yl)sulfonylamino]acetate.
What is the SMILES notation for ethyl 2-[(1-ethylpyrazol-4-yl)sulfonylamino]acetate?
The canonical SMILES for ethyl 2-[(1-ethylpyrazol-4-yl)sulfonylamino]acetate is CCOC(=O)CNS(=O)(=O)c1cnn(CC)c1.
What is the InChIKey of ethyl 2-[(1-ethylpyrazol-4-yl)sulfonylamino]acetate?
The InChIKey is XEODEUFBLZQWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O4S/c1-3-12-7-8(5-10-12)17(14,15)11-6-9(13)16-4-2/h5,7,11H,3-4,6H2,1-2H3.
What are the key properties of ethyl 2-[(1-ethylpyrazol-4-yl)sulfonylamino]acetate?
ethyl 2-[(1-ethylpyrazol-4-yl)sulfonylamino]acetate has a molecular weight of 261.30 g/mol, XLogP of -0.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1-ethylpyrazol-4-yl)sulfonylamino]acetate is sourced from PubChem (CID 19681630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).