ethyl 2-(1H-pyrazol-5-ylmethylsulfamoyl)acetate

C8H13N3O4S — CID 61457429

IUPACethyl 2-(1H-pyrazol-5-ylmethylsulfamoyl)acetate
SMILESCCOC(=O)CS(=O)(=O)NCc1ccn[nH]1
InChIInChI=1S/C8H13N3O4S/c1-2-15-8(12)6-16(13,14)10-5-7-3-4-9-11-7/h3-4,10H,2,5-6H2,1H3,(H,9,11)
InChIKeyOJVBDOJEBZWCQX-UHFFFAOYSA-N
MW247.28 g/mol
LogP-0.61
Rot. Bonds6

About ethyl 2-(1H-pyrazol-5-ylmethylsulfamoyl)acetate

ethyl 2-(1H-pyrazol-5-ylmethylsulfamoyl)acetate (PubChem CID 61457429) has the molecular formula C8H13N3O4S and a molecular weight of 247.28 g/mol. Its IUPAC name is ethyl 2-(1H-pyrazol-5-ylmethylsulfamoyl)acetate.

Molecular Properties

Compound Nameethyl 2-(1H-pyrazol-5-ylmethylsulfamoyl)acetate
PubChem CID61457429
Molecular FormulaC8H13N3O4S
Molecular Weight247.28 g/mol
Exact Mass247.06
IUPAC Nameethyl 2-(1H-pyrazol-5-ylmethylsulfamoyl)acetate
SMILESCCOC(=O)CS(=O)(=O)NCc1ccn[nH]1
InChIInChI=1S/C8H13N3O4S/c1-2-15-8(12)6-16(13,14)10-5-7-3-4-9-11-7/h3-4,10H,2,5-6H2,1H3,(H,9,11)
InChIKeyOJVBDOJEBZWCQX-UHFFFAOYSA-N
XLogP-0.61
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-(1H-pyrazol-5-ylmethylamino)butanoate
CID 64578531
ethyl 2-(1,2,3,6-tetrahydropyridin-4-ylmethylsulfamoyl)acetate
CID 114694281
ethyl 2-[[3-(hydroxymethyl)phenyl]methylsulfamoyl]acetate
CID 63311718
ethyl 3-[[2-(1H-pyrazol-5-yl)acetyl]amino]propanoate
CID 79040354
1-ethyl-4-(1H-pyrazol-5-ylmethylsulfamoyl)pyrrole-2-carboxylic acid
CID 61284111
N-[3-(1H-pyrazol-5-ylmethylamino)propyl]ethanesulfonamide
CID 115607773
4-amino-3-methoxy-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide
CID 81438616
5-amino-2-methoxy-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide
CID 61285259
5-fluoro-2-methyl-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide
CID 61283363
ethyl 2-[(2-chloropyrimidin-4-yl)sulfamoyl]acetate
CID 116798767
propyl 2-(1H-pyrazol-5-yl)acetate
CID 79139219
4-amino-2,6-dibromo-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide
CID 61284272

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1H-pyrazol-5-ylmethylsulfamoyl)acetate?
The IUPAC name of ethyl 2-(1H-pyrazol-5-ylmethylsulfamoyl)acetate (CID 61457429) is ethyl 2-(1H-pyrazol-5-ylmethylsulfamoyl)acetate.
What is the SMILES notation for ethyl 2-(1H-pyrazol-5-ylmethylsulfamoyl)acetate?
The canonical SMILES for ethyl 2-(1H-pyrazol-5-ylmethylsulfamoyl)acetate is CCOC(=O)CS(=O)(=O)NCc1ccn[nH]1.
What is the InChIKey of ethyl 2-(1H-pyrazol-5-ylmethylsulfamoyl)acetate?
The InChIKey is OJVBDOJEBZWCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O4S/c1-2-15-8(12)6-16(13,14)10-5-7-3-4-9-11-7/h3-4,10H,2,5-6H2,1H3,(H,9,11).
What are the key properties of ethyl 2-(1H-pyrazol-5-ylmethylsulfamoyl)acetate?
ethyl 2-(1H-pyrazol-5-ylmethylsulfamoyl)acetate has a molecular weight of 247.28 g/mol, XLogP of -0.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1H-pyrazol-5-ylmethylsulfamoyl)acetate is sourced from PubChem (CID 61457429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).