methyl 3-methyl-5-[(1-methyltriazole-4-carbonyl)sulfamoyl]furan-2-carboxylate

C11H12N4O6S — CID 146077459

IUPACmethyl 3-methyl-5-[(1-methyltriazole-4-carbonyl)sulfamoyl]furan-2-carboxylate
SMILESCOC(=O)c1oc(S(=O)(=O)NC(=O)c2cn(C)nn2)cc1C
InChIInChI=1S/C11H12N4O6S/c1-6-4-8(21-9(6)11(17)20-3)22(18,19)13-10(16)7-5-15(2)14-12-7/h4-5H,1-3H3,(H,13,16)
InChIKeyYBBPKWUGWDSHQR-UHFFFAOYSA-N
MW328.31 g/mol
LogP-0.38
Rot. Bonds4

About methyl 3-methyl-5-[(1-methyltriazole-4-carbonyl)sulfamoyl]furan-2-carboxylate

methyl 3-methyl-5-[(1-methyltriazole-4-carbonyl)sulfamoyl]furan-2-carboxylate (PubChem CID 146077459) has the molecular formula C11H12N4O6S and a molecular weight of 328.31 g/mol. Its IUPAC name is methyl 3-methyl-5-[(1-methyltriazole-4-carbonyl)sulfamoyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-methyl-5-[(1-methyltriazole-4-carbonyl)sulfamoyl]furan-2-carboxylate
PubChem CID146077459
Molecular FormulaC11H12N4O6S
Molecular Weight328.31 g/mol
Exact Mass328.05
IUPAC Namemethyl 3-methyl-5-[(1-methyltriazole-4-carbonyl)sulfamoyl]furan-2-carboxylate
SMILESCOC(=O)c1oc(S(=O)(=O)NC(=O)c2cn(C)nn2)cc1C
InChIInChI=1S/C11H12N4O6S/c1-6-4-8(21-9(6)11(17)20-3)22(18,19)13-10(16)7-5-15(2)14-12-7/h4-5H,1-3H3,(H,13,16)
InChIKeyYBBPKWUGWDSHQR-UHFFFAOYSA-N
XLogP-0.38
TPSA133.39 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.31
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-5-[(1-methyltriazole-4-carbonyl)sulfamoyl]furan-2-carboxylate?
The IUPAC name of methyl 3-methyl-5-[(1-methyltriazole-4-carbonyl)sulfamoyl]furan-2-carboxylate (CID 146077459) is methyl 3-methyl-5-[(1-methyltriazole-4-carbonyl)sulfamoyl]furan-2-carboxylate.
What is the SMILES notation for methyl 3-methyl-5-[(1-methyltriazole-4-carbonyl)sulfamoyl]furan-2-carboxylate?
The canonical SMILES for methyl 3-methyl-5-[(1-methyltriazole-4-carbonyl)sulfamoyl]furan-2-carboxylate is COC(=O)c1oc(S(=O)(=O)NC(=O)c2cn(C)nn2)cc1C.
What is the InChIKey of methyl 3-methyl-5-[(1-methyltriazole-4-carbonyl)sulfamoyl]furan-2-carboxylate?
The InChIKey is YBBPKWUGWDSHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O6S/c1-6-4-8(21-9(6)11(17)20-3)22(18,19)13-10(16)7-5-15(2)14-12-7/h4-5H,1-3H3,(H,13,16).
What are the key properties of methyl 3-methyl-5-[(1-methyltriazole-4-carbonyl)sulfamoyl]furan-2-carboxylate?
methyl 3-methyl-5-[(1-methyltriazole-4-carbonyl)sulfamoyl]furan-2-carboxylate has a molecular weight of 328.31 g/mol, XLogP of -0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-5-[(1-methyltriazole-4-carbonyl)sulfamoyl]furan-2-carboxylate is sourced from PubChem (CID 146077459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).