methyl 3-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylate

C13H14N4O5S2 — CID 13390185

IUPACmethyl 3-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)cc(C)n1
InChIInChI=1S/C13H14N4O5S2/c1-7-6-8(2)15-12(14-7)16-13(19)17-24(20,21)9-4-5-23-10(9)11(18)22-3/h4-6H,1-3H3,(H2,14,15,16,17,19)
InChIKeyLYKUIUGQPNOYJA-UHFFFAOYSA-N
MW370.41 g/mol
LogP1.45
Rot. Bonds4

About methyl 3-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylate

methyl 3-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylate (PubChem CID 13390185) has the molecular formula C13H14N4O5S2 and a molecular weight of 370.41 g/mol. Its IUPAC name is methyl 3-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylate
PubChem CID13390185
Molecular FormulaC13H14N4O5S2
Molecular Weight370.41 g/mol
Exact Mass370.04
IUPAC Namemethyl 3-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)cc(C)n1
InChIInChI=1S/C13H14N4O5S2/c1-7-6-8(2)15-12(14-7)16-13(19)17-24(20,21)9-4-5-23-10(9)11(18)22-3/h4-6H,1-3H3,(H2,14,15,16,17,19)
InChIKeyLYKUIUGQPNOYJA-UHFFFAOYSA-N
XLogP1.45
TPSA127.35 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylate (CID 13390185) is methyl 3-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylate is COC(=O)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)cc(C)n1.
What is the InChIKey of methyl 3-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylate?
The InChIKey is LYKUIUGQPNOYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O5S2/c1-7-6-8(2)15-12(14-7)16-13(19)17-24(20,21)9-4-5-23-10(9)11(18)22-3/h4-6H,1-3H3,(H2,14,15,16,17,19).
What are the key properties of methyl 3-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylate?
methyl 3-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylate has a molecular weight of 370.41 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 13390185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).