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

C10H18N4O4S — CID 55003430

IUPACethyl 2-[(5-amino-1H-pyrazol-4-yl)sulfonyl-propylamino]acetate
SMILESCCCN(CC(=O)OCC)S(=O)(=O)c1cn[nH]c1N
InChIInChI=1S/C10H18N4O4S/c1-3-5-14(7-9(15)18-4-2)19(16,17)8-6-12-13-10(8)11/h6H,3-5,7H2,1-2H3,(H3,11,12,13)
InChIKeyDAAQUWXSOGGKIZ-UHFFFAOYSA-N
MW290.34 g/mol
LogP-0.04
Rot. Bonds7

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

ethyl 2-[(5-amino-1H-pyrazol-4-yl)sulfonyl-propylamino]acetate (PubChem CID 55003430) has the molecular formula C10H18N4O4S and a molecular weight of 290.34 g/mol. Its IUPAC name is ethyl 2-[(5-amino-1H-pyrazol-4-yl)sulfonyl-propylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(5-amino-1H-pyrazol-4-yl)sulfonyl-propylamino]acetate
PubChem CID55003430
Molecular FormulaC10H18N4O4S
Molecular Weight290.34 g/mol
Exact Mass290.10
IUPAC Nameethyl 2-[(5-amino-1H-pyrazol-4-yl)sulfonyl-propylamino]acetate
SMILESCCCN(CC(=O)OCC)S(=O)(=O)c1cn[nH]c1N
InChIInChI=1S/C10H18N4O4S/c1-3-5-14(7-9(15)18-4-2)19(16,17)8-6-12-13-10(8)11/h6H,3-5,7H2,1-2H3,(H3,11,12,13)
InChIKeyDAAQUWXSOGGKIZ-UHFFFAOYSA-N
XLogP-0.04
TPSA118.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 5-0.04
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-propylamino]acetate?
The IUPAC name of ethyl 2-[(5-amino-1H-pyrazol-4-yl)sulfonyl-propylamino]acetate (CID 55003430) is ethyl 2-[(5-amino-1H-pyrazol-4-yl)sulfonyl-propylamino]acetate.
What is the SMILES notation for ethyl 2-[(5-amino-1H-pyrazol-4-yl)sulfonyl-propylamino]acetate?
The canonical SMILES for ethyl 2-[(5-amino-1H-pyrazol-4-yl)sulfonyl-propylamino]acetate is CCCN(CC(=O)OCC)S(=O)(=O)c1cn[nH]c1N.
What is the InChIKey of ethyl 2-[(5-amino-1H-pyrazol-4-yl)sulfonyl-propylamino]acetate?
The InChIKey is DAAQUWXSOGGKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O4S/c1-3-5-14(7-9(15)18-4-2)19(16,17)8-6-12-13-10(8)11/h6H,3-5,7H2,1-2H3,(H3,11,12,13).
What are the key properties of ethyl 2-[(5-amino-1H-pyrazol-4-yl)sulfonyl-propylamino]acetate?
ethyl 2-[(5-amino-1H-pyrazol-4-yl)sulfonyl-propylamino]acetate has a molecular weight of 290.34 g/mol, XLogP of -0.04, 7 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-propylamino]acetate is sourced from PubChem (CID 55003430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).