ethyl 2-[(5-amino-1H-pyrazol-4-yl)sulfonyl-ethylamino]acetate

C9H16N4O4S — CID 55002062

IUPACethyl 2-[(5-amino-1H-pyrazol-4-yl)sulfonyl-ethylamino]acetate
SMILESCCOC(=O)CN(CC)S(=O)(=O)c1cn[nH]c1N
InChIInChI=1S/C9H16N4O4S/c1-3-13(6-8(14)17-4-2)18(15,16)7-5-11-12-9(7)10/h5H,3-4,6H2,1-2H3,(H3,10,11,12)
InChIKeyFORWLEDNNSZRDJ-UHFFFAOYSA-N
MW276.32 g/mol
LogP-0.43
Rot. Bonds6

About ethyl 2-[(5-amino-1H-pyrazol-4-yl)sulfonyl-ethylamino]acetate

ethyl 2-[(5-amino-1H-pyrazol-4-yl)sulfonyl-ethylamino]acetate (PubChem CID 55002062) has the molecular formula C9H16N4O4S and a molecular weight of 276.32 g/mol. Its IUPAC name is ethyl 2-[(5-amino-1H-pyrazol-4-yl)sulfonyl-ethylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(5-amino-1H-pyrazol-4-yl)sulfonyl-ethylamino]acetate
PubChem CID55002062
Molecular FormulaC9H16N4O4S
Molecular Weight276.32 g/mol
Exact Mass276.09
IUPAC Nameethyl 2-[(5-amino-1H-pyrazol-4-yl)sulfonyl-ethylamino]acetate
SMILESCCOC(=O)CN(CC)S(=O)(=O)c1cn[nH]c1N
InChIInChI=1S/C9H16N4O4S/c1-3-13(6-8(14)17-4-2)18(15,16)7-5-11-12-9(7)10/h5H,3-4,6H2,1-2H3,(H3,10,11,12)
InChIKeyFORWLEDNNSZRDJ-UHFFFAOYSA-N
XLogP-0.43
TPSA118.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5-amino-1H-pyrazol-4-yl)sulfonyl-ethylamino]acetate?
The IUPAC name of ethyl 2-[(5-amino-1H-pyrazol-4-yl)sulfonyl-ethylamino]acetate (CID 55002062) is ethyl 2-[(5-amino-1H-pyrazol-4-yl)sulfonyl-ethylamino]acetate.
What is the SMILES notation for ethyl 2-[(5-amino-1H-pyrazol-4-yl)sulfonyl-ethylamino]acetate?
The canonical SMILES for ethyl 2-[(5-amino-1H-pyrazol-4-yl)sulfonyl-ethylamino]acetate is CCOC(=O)CN(CC)S(=O)(=O)c1cn[nH]c1N.
What is the InChIKey of ethyl 2-[(5-amino-1H-pyrazol-4-yl)sulfonyl-ethylamino]acetate?
The InChIKey is FORWLEDNNSZRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O4S/c1-3-13(6-8(14)17-4-2)18(15,16)7-5-11-12-9(7)10/h5H,3-4,6H2,1-2H3,(H3,10,11,12).
What are the key properties of ethyl 2-[(5-amino-1H-pyrazol-4-yl)sulfonyl-ethylamino]acetate?
ethyl 2-[(5-amino-1H-pyrazol-4-yl)sulfonyl-ethylamino]acetate has a molecular weight of 276.32 g/mol, XLogP of -0.43, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5-amino-1H-pyrazol-4-yl)sulfonyl-ethylamino]acetate is sourced from PubChem (CID 55002062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).