methyl 4-methyl-3-(1H-pyrazol-4-ylsulfonylamino)thiophene-2-carboxylate

C10H11N3O4S2 — CID 114916103

IUPACmethyl 4-methyl-3-(1H-pyrazol-4-ylsulfonylamino)thiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1NS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C10H11N3O4S2/c1-6-5-18-9(10(14)17-2)8(6)13-19(15,16)7-3-11-12-4-7/h3-5,13H,1-2H3,(H,11,12)
InChIKeyIFYWFJPHEKMEQX-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.37
Rot. Bonds4

About methyl 4-methyl-3-(1H-pyrazol-4-ylsulfonylamino)thiophene-2-carboxylate

methyl 4-methyl-3-(1H-pyrazol-4-ylsulfonylamino)thiophene-2-carboxylate (PubChem CID 114916103) has the molecular formula C10H11N3O4S2 and a molecular weight of 301.35 g/mol. Its IUPAC name is methyl 4-methyl-3-(1H-pyrazol-4-ylsulfonylamino)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-3-(1H-pyrazol-4-ylsulfonylamino)thiophene-2-carboxylate
PubChem CID114916103
Molecular FormulaC10H11N3O4S2
Molecular Weight301.35 g/mol
Exact Mass301.02
IUPAC Namemethyl 4-methyl-3-(1H-pyrazol-4-ylsulfonylamino)thiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1NS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C10H11N3O4S2/c1-6-5-18-9(10(14)17-2)8(6)13-19(15,16)7-3-11-12-4-7/h3-5,13H,1-2H3,(H,11,12)
InChIKeyIFYWFJPHEKMEQX-UHFFFAOYSA-N
XLogP1.37
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-methyl-3-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]thiophene-2-carboxylate
CID 114916099
N-(2-hydroxy-6-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 54909805
methyl 4-methyl-3-[[methyl(propan-2-yl)sulfamoyl]amino]thiophene-2-carboxylate
CID 114916462
methyl 4-methyl-3-(2H-triazole-4-carbonylamino)thiophene-2-carboxylate
CID 114916114
methyl 3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methylthiophene-2-carboxylate
CID 10383342
methyl 3,5-dibromo-2-(1H-pyrazol-4-ylsulfonylamino)benzoate
CID 60933809
N-(2-chloro-6-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 66254277
methyl 2-(1H-pyrazol-4-ylsulfonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 60916356
methyl 3-(benzylsulfonylamino)-4-methylthiophene-2-carboxylate
CID 114916457
methyl 4-methyl-3-(morpholin-4-ylsulfonylamino)thiophene-2-carboxylate
CID 114916490
methyl 3-[(3-ethoxy-3-oxopropyl)sulfonylamino]-4-methylthiophene-2-carboxylate
CID 114916450
methyl (2S)-2-(1H-pyrazol-4-ylsulfonylamino)propanoate
CID 61275343

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-3-(1H-pyrazol-4-ylsulfonylamino)thiophene-2-carboxylate?
The IUPAC name of methyl 4-methyl-3-(1H-pyrazol-4-ylsulfonylamino)thiophene-2-carboxylate (CID 114916103) is methyl 4-methyl-3-(1H-pyrazol-4-ylsulfonylamino)thiophene-2-carboxylate.
What is the SMILES notation for methyl 4-methyl-3-(1H-pyrazol-4-ylsulfonylamino)thiophene-2-carboxylate?
The canonical SMILES for methyl 4-methyl-3-(1H-pyrazol-4-ylsulfonylamino)thiophene-2-carboxylate is COC(=O)c1scc(C)c1NS(=O)(=O)c1cn[nH]c1.
What is the InChIKey of methyl 4-methyl-3-(1H-pyrazol-4-ylsulfonylamino)thiophene-2-carboxylate?
The InChIKey is IFYWFJPHEKMEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4S2/c1-6-5-18-9(10(14)17-2)8(6)13-19(15,16)7-3-11-12-4-7/h3-5,13H,1-2H3,(H,11,12).
What are the key properties of methyl 4-methyl-3-(1H-pyrazol-4-ylsulfonylamino)thiophene-2-carboxylate?
methyl 4-methyl-3-(1H-pyrazol-4-ylsulfonylamino)thiophene-2-carboxylate has a molecular weight of 301.35 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-3-(1H-pyrazol-4-ylsulfonylamino)thiophene-2-carboxylate is sourced from PubChem (CID 114916103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).