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

C9H15N3O4S — CID 54998225

IUPACmethyl 2-[ethyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]acetate
SMILESCCN(CC(=O)OC)S(=O)(=O)c1cn[nH]c1C
InChIInChI=1S/C9H15N3O4S/c1-4-12(6-9(13)16-3)17(14,15)8-5-10-11-7(8)2/h5H,4,6H2,1-3H3,(H,10,11)
InChIKeyLTEMPOFSTSNOGS-UHFFFAOYSA-N
MW261.30 g/mol
LogP-0.10
Rot. Bonds5

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

methyl 2-[ethyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]acetate (PubChem CID 54998225) has the molecular formula C9H15N3O4S and a molecular weight of 261.30 g/mol. Its IUPAC name is methyl 2-[ethyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[ethyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]acetate
PubChem CID54998225
Molecular FormulaC9H15N3O4S
Molecular Weight261.30 g/mol
Exact Mass261.08
IUPAC Namemethyl 2-[ethyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]acetate
SMILESCCN(CC(=O)OC)S(=O)(=O)c1cn[nH]c1C
InChIInChI=1S/C9H15N3O4S/c1-4-12(6-9(13)16-3)17(14,15)8-5-10-11-7(8)2/h5H,4,6H2,1-3H3,(H,10,11)
InChIKeyLTEMPOFSTSNOGS-UHFFFAOYSA-N
XLogP-0.10
TPSA92.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[2-methylpropyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]propanoate
CID 60959588
N-ethyl-5-methyl-N-propyl-1H-pyrazole-4-sulfonamide
CID 60912366
ethyl 2-[(5-methyl-1H-pyrazol-4-yl)sulfonyl-propan-2-ylamino]acetate
CID 54901433
N,N-bis(2-hydroxyethyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 60960308
methyl 2-[(2-amino-4-methylphenyl)sulfonyl-ethylamino]acetate
CID 54998555
2-[(5-methyl-1H-pyrazol-4-yl)sulfonyl-propylamino]-N-propylacetamide
CID 60959125
methyl 2-[(2-methoxy-2-oxoethyl)-(5-methyl-1H-pyrazole-4-carbonyl)amino]acetate
CID 63997835
methyl 2-[ethyl-(2-fluorophenyl)sulfonylamino]acetate
CID 61384024
methyl 2-[(5-chloro-2-methylphenyl)sulfonyl-ethylamino]acetate
CID 54979246
N-[(3-aminophenyl)methyl]-N-ethyl-5-methyl-1H-pyrazole-4-sulfonamide
CID 60911327
methyl 2-[(2-amino-4-chlorophenyl)sulfonyl-ethylamino]acetate
CID 54998458
2-[(5-methyl-1H-pyrazol-4-yl)sulfonyl-propan-2-ylamino]acetamide
CID 60911348

Frequently Asked Questions

What is the IUPAC name of methyl 2-[ethyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]acetate?
The IUPAC name of methyl 2-[ethyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]acetate (CID 54998225) is methyl 2-[ethyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]acetate.
What is the SMILES notation for methyl 2-[ethyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]acetate?
The canonical SMILES for methyl 2-[ethyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]acetate is CCN(CC(=O)OC)S(=O)(=O)c1cn[nH]c1C.
What is the InChIKey of methyl 2-[ethyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]acetate?
The InChIKey is LTEMPOFSTSNOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O4S/c1-4-12(6-9(13)16-3)17(14,15)8-5-10-11-7(8)2/h5H,4,6H2,1-3H3,(H,10,11).
What are the key properties of methyl 2-[ethyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]acetate?
methyl 2-[ethyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]acetate has a molecular weight of 261.30 g/mol, XLogP of -0.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[ethyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]acetate is sourced from PubChem (CID 54998225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).