methyl 5-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]thiophene-2-carboxylate

C12H13N3O4S2 — CID 154752638

IUPACmethyl 5-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)s1
InChIInChI=1S/C12H13N3O4S2/c1-7-6-8(2)14-12(13-7)15-21(17,18)10-5-4-9(20-10)11(16)19-3/h4-6H,1-3H3,(H,13,14,15)
InChIKeyXBQKAAACYBWVFS-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.74
Rot. Bonds4

About methyl 5-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]thiophene-2-carboxylate

methyl 5-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]thiophene-2-carboxylate (PubChem CID 154752638) has the molecular formula C12H13N3O4S2 and a molecular weight of 327.39 g/mol. Its IUPAC name is methyl 5-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]thiophene-2-carboxylate
PubChem CID154752638
Molecular FormulaC12H13N3O4S2
Molecular Weight327.39 g/mol
Exact Mass327.03
IUPAC Namemethyl 5-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)s1
InChIInChI=1S/C12H13N3O4S2/c1-7-6-8(2)14-12(13-7)15-21(17,18)10-5-4-9(20-10)11(16)19-3/h4-6H,1-3H3,(H,13,14,15)
InChIKeyXBQKAAACYBWVFS-UHFFFAOYSA-N
XLogP1.74
TPSA98.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[5-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]thiophen-2-yl]acetic acid
CID 29267010
5-bromo-N-(4-methoxy-6-methylpyrimidin-2-yl)thiophene-2-sulfonamide
CID 104599534
methyl 4-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamoyl]benzoate
CID 1187341
N-(4,6-dimethylpyrimidin-2-yl)-4-methoxybenzenesulfonamide
CID 717519
methyl 5-[[N'-(5-methoxycarbonylthiophen-2-yl)sulfonylcarbamimidoyl]sulfamoyl]thiophene-2-carboxylate
CID 54552349
methyl 5-[[(1R,6R)-6-methylcyclohex-3-ene-1-carbonyl]sulfamoyl]thiophene-2-carboxylate
CID 100645289
5-[(5-bromo-6-methyl-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid
CID 79048330
ethyl 5-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]furan-2-carboxylate
CID 122141670
methyl 5-[[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]sulfamoyl]thiophene-2-carboxylate
CID 57383229
methyl 5-[S-methyl-N-[(2-methylpropan-2-yl)oxycarbonyl]sulfonimidoyl]thiophene-2-carboxylate
CID 168792444
5-[(4-bromo-3-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61026736
5-[(4-chloro-2-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61026864

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]thiophene-2-carboxylate?
The IUPAC name of methyl 5-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]thiophene-2-carboxylate (CID 154752638) is methyl 5-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 5-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 5-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]thiophene-2-carboxylate is COC(=O)c1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)s1.
What is the InChIKey of methyl 5-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]thiophene-2-carboxylate?
The InChIKey is XBQKAAACYBWVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4S2/c1-7-6-8(2)14-12(13-7)15-21(17,18)10-5-4-9(20-10)11(16)19-3/h4-6H,1-3H3,(H,13,14,15).
What are the key properties of methyl 5-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]thiophene-2-carboxylate?
methyl 5-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]thiophene-2-carboxylate has a molecular weight of 327.39 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 154752638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).