methyl 5-methyl-4-[(3-methylpiperidin-4-yl)sulfamoyl]furan-2-carboxylate

C13H20N2O5S — CID 120725208

IUPACmethyl 5-methyl-4-[(3-methylpiperidin-4-yl)sulfamoyl]furan-2-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)NC2CCNCC2C)c(C)o1
InChIInChI=1S/C13H20N2O5S/c1-8-7-14-5-4-10(8)15-21(17,18)12-6-11(13(16)19-3)20-9(12)2/h6,8,10,14-15H,4-5,7H2,1-3H3
InChIKeyYZDLBUFZUQPNBI-UHFFFAOYSA-N
MW316.38 g/mol
LogP0.65
Rot. Bonds4

About methyl 5-methyl-4-[(3-methylpiperidin-4-yl)sulfamoyl]furan-2-carboxylate

methyl 5-methyl-4-[(3-methylpiperidin-4-yl)sulfamoyl]furan-2-carboxylate (PubChem CID 120725208) has the molecular formula C13H20N2O5S and a molecular weight of 316.38 g/mol. Its IUPAC name is methyl 5-methyl-4-[(3-methylpiperidin-4-yl)sulfamoyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-4-[(3-methylpiperidin-4-yl)sulfamoyl]furan-2-carboxylate
PubChem CID120725208
Molecular FormulaC13H20N2O5S
Molecular Weight316.38 g/mol
Exact Mass316.11
IUPAC Namemethyl 5-methyl-4-[(3-methylpiperidin-4-yl)sulfamoyl]furan-2-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)NC2CCNCC2C)c(C)o1
InChIInChI=1S/C13H20N2O5S/c1-8-7-14-5-4-10(8)15-21(17,18)12-6-11(13(16)19-3)20-9(12)2/h6,8,10,14-15H,4-5,7H2,1-3H3
InChIKeyYZDLBUFZUQPNBI-UHFFFAOYSA-N
XLogP0.65
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-4-[(3-methylpiperidin-4-yl)sulfamoyl]furan-2-carboxylate?
The IUPAC name of methyl 5-methyl-4-[(3-methylpiperidin-4-yl)sulfamoyl]furan-2-carboxylate (CID 120725208) is methyl 5-methyl-4-[(3-methylpiperidin-4-yl)sulfamoyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-methyl-4-[(3-methylpiperidin-4-yl)sulfamoyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-methyl-4-[(3-methylpiperidin-4-yl)sulfamoyl]furan-2-carboxylate is COC(=O)c1cc(S(=O)(=O)NC2CCNCC2C)c(C)o1.
What is the InChIKey of methyl 5-methyl-4-[(3-methylpiperidin-4-yl)sulfamoyl]furan-2-carboxylate?
The InChIKey is YZDLBUFZUQPNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5S/c1-8-7-14-5-4-10(8)15-21(17,18)12-6-11(13(16)19-3)20-9(12)2/h6,8,10,14-15H,4-5,7H2,1-3H3.
What are the key properties of methyl 5-methyl-4-[(3-methylpiperidin-4-yl)sulfamoyl]furan-2-carboxylate?
methyl 5-methyl-4-[(3-methylpiperidin-4-yl)sulfamoyl]furan-2-carboxylate has a molecular weight of 316.38 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-4-[(3-methylpiperidin-4-yl)sulfamoyl]furan-2-carboxylate is sourced from PubChem (CID 120725208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).