methyl 2-[(2-methoxy-2-oxoethyl)-(2-methylpyrazol-3-yl)sulfonylamino]acetate

C10H15N3O6S — CID 104710370

IUPACmethyl 2-[(2-methoxy-2-oxoethyl)-(2-methylpyrazol-3-yl)sulfonylamino]acetate
SMILESCOC(=O)CN(CC(=O)OC)S(=O)(=O)c1ccnn1C
InChIInChI=1S/C10H15N3O6S/c1-12-8(4-5-11-12)20(16,17)13(6-9(14)18-2)7-10(15)19-3/h4-5H,6-7H2,1-3H3
InChIKeyYHIAUXMRDOOXBF-UHFFFAOYSA-N
MW305.31 g/mol
LogP-1.24
Rot. Bonds6

About methyl 2-[(2-methoxy-2-oxoethyl)-(2-methylpyrazol-3-yl)sulfonylamino]acetate

methyl 2-[(2-methoxy-2-oxoethyl)-(2-methylpyrazol-3-yl)sulfonylamino]acetate (PubChem CID 104710370) has the molecular formula C10H15N3O6S and a molecular weight of 305.31 g/mol. Its IUPAC name is methyl 2-[(2-methoxy-2-oxoethyl)-(2-methylpyrazol-3-yl)sulfonylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-methoxy-2-oxoethyl)-(2-methylpyrazol-3-yl)sulfonylamino]acetate
PubChem CID104710370
Molecular FormulaC10H15N3O6S
Molecular Weight305.31 g/mol
Exact Mass305.07
IUPAC Namemethyl 2-[(2-methoxy-2-oxoethyl)-(2-methylpyrazol-3-yl)sulfonylamino]acetate
SMILESCOC(=O)CN(CC(=O)OC)S(=O)(=O)c1ccnn1C
InChIInChI=1S/C10H15N3O6S/c1-12-8(4-5-11-12)20(16,17)13(6-9(14)18-2)7-10(15)19-3/h4-5H,6-7H2,1-3H3
InChIKeyYHIAUXMRDOOXBF-UHFFFAOYSA-N
XLogP-1.24
TPSA107.80 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 5-1.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

methyl 2-[(2-methylpyrazol-3-yl)sulfonyl-propylamino]acetate
CID 104710365
2-[(2-methylpyrazol-3-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 104709691
ethyl 2-[cyclopropyl-(2-methylpyrazol-3-yl)sulfonylamino]acetate
CID 104710366
3-[2-methoxyethyl-(2-methylpyrazol-3-yl)sulfonylamino]propanethioamide
CID 104709936
2-methyl-3-[methyl-(2-methylpyrazol-3-yl)sulfonylamino]propanoic acid
CID 104709586
methyl 2-[(4-aminophenyl)sulfonyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 62955213
methyl 2-[(5-chloro-1-methylimidazol-4-yl)sulfonyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 62957497
2-[(2-methylpyrazol-3-yl)sulfonylamino]oxyacetic acid
CID 104709642
N-(1-hydroxypropan-2-yl)-N,2-dimethylpyrazole-3-sulfonamide
CID 104710142
N-(2-bromo-3-methoxypropyl)-N,2-dimethylpyrazole-3-sulfonamide
CID 104710609
methyl 2-[(3-amino-1,5-dimethylpyrazol-4-yl)sulfonyl-ethylamino]acetate
CID 105358757
N-(3-amino-2-methylpropyl)-N,2-dimethylpyrazole-3-sulfonamide
CID 104709309

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methoxy-2-oxoethyl)-(2-methylpyrazol-3-yl)sulfonylamino]acetate?
The IUPAC name of methyl 2-[(2-methoxy-2-oxoethyl)-(2-methylpyrazol-3-yl)sulfonylamino]acetate (CID 104710370) is methyl 2-[(2-methoxy-2-oxoethyl)-(2-methylpyrazol-3-yl)sulfonylamino]acetate.
What is the SMILES notation for methyl 2-[(2-methoxy-2-oxoethyl)-(2-methylpyrazol-3-yl)sulfonylamino]acetate?
The canonical SMILES for methyl 2-[(2-methoxy-2-oxoethyl)-(2-methylpyrazol-3-yl)sulfonylamino]acetate is COC(=O)CN(CC(=O)OC)S(=O)(=O)c1ccnn1C.
What is the InChIKey of methyl 2-[(2-methoxy-2-oxoethyl)-(2-methylpyrazol-3-yl)sulfonylamino]acetate?
The InChIKey is YHIAUXMRDOOXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O6S/c1-12-8(4-5-11-12)20(16,17)13(6-9(14)18-2)7-10(15)19-3/h4-5H,6-7H2,1-3H3.
What are the key properties of methyl 2-[(2-methoxy-2-oxoethyl)-(2-methylpyrazol-3-yl)sulfonylamino]acetate?
methyl 2-[(2-methoxy-2-oxoethyl)-(2-methylpyrazol-3-yl)sulfonylamino]acetate has a molecular weight of 305.31 g/mol, XLogP of -1.24, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methoxy-2-oxoethyl)-(2-methylpyrazol-3-yl)sulfonylamino]acetate is sourced from PubChem (CID 104710370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).