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

C14H22N2O5S — CID 120875809

IUPACmethyl 2,5-dimethyl-4-[(2-methylpiperidin-4-yl)sulfamoyl]furan-3-carboxylate
SMILESCOC(=O)c1c(C)oc(C)c1S(=O)(=O)NC1CCNC(C)C1
InChIInChI=1S/C14H22N2O5S/c1-8-7-11(5-6-15-8)16-22(18,19)13-10(3)21-9(2)12(13)14(17)20-4/h8,11,15-16H,5-7H2,1-4H3
InChIKeyIEZCJUNGNCOFRH-UHFFFAOYSA-N
MW330.41 g/mol
LogP1.10
Rot. Bonds4

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

methyl 2,5-dimethyl-4-[(2-methylpiperidin-4-yl)sulfamoyl]furan-3-carboxylate (PubChem CID 120875809) has the molecular formula C14H22N2O5S and a molecular weight of 330.41 g/mol. Its IUPAC name is methyl 2,5-dimethyl-4-[(2-methylpiperidin-4-yl)sulfamoyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 2,5-dimethyl-4-[(2-methylpiperidin-4-yl)sulfamoyl]furan-3-carboxylate
PubChem CID120875809
Molecular FormulaC14H22N2O5S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC Namemethyl 2,5-dimethyl-4-[(2-methylpiperidin-4-yl)sulfamoyl]furan-3-carboxylate
SMILESCOC(=O)c1c(C)oc(C)c1S(=O)(=O)NC1CCNC(C)C1
InChIInChI=1S/C14H22N2O5S/c1-8-7-11(5-6-15-8)16-22(18,19)13-10(3)21-9(2)12(13)14(17)20-4/h8,11,15-16H,5-7H2,1-4H3
InChIKeyIEZCJUNGNCOFRH-UHFFFAOYSA-N
XLogP1.10
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2,5-dimethyl-4-[(3R)-3-methylpiperazin-1-yl]sulfonylfuran-3-carboxylate
CID 104975083
methyl 4-[(2-methylpiperidin-4-yl)sulfamoyl]thiophene-2-carboxylate
CID 120586279
methyl 2,5-dimethyl-4-(1-piperidin-3-ylethylsulfamoyl)furan-3-carboxylate
CID 120874790
2,3,5,6-tetramethyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120586042
methyl 3-[(2-methylpiperidin-4-yl)sulfamoyl]thiophene-2-carboxylate;hydrochloride
CID 120585943
4-fluoro-2,6-dimethyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide
CID 107328379
2-methyl-N-(methylsulfamoyl)piperidin-4-amine
CID 106995824
2-fluoro-6-methyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120713810
[(2R,4R)-2-methylpiperidin-4-yl]carbamic acid
CID 146485805
ethyl 5-[(2-methylpiperidin-4-yl)sulfamoyl]-1H-pyrazole-4-carboxylate
CID 120586131
dimethyl 2,5-dimethylfuran-3,4-dicarboxylate
CID 12706089
2-fluoro-5-methyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide
CID 106995674

Frequently Asked Questions

What is the IUPAC name of methyl 2,5-dimethyl-4-[(2-methylpiperidin-4-yl)sulfamoyl]furan-3-carboxylate?
The IUPAC name of methyl 2,5-dimethyl-4-[(2-methylpiperidin-4-yl)sulfamoyl]furan-3-carboxylate (CID 120875809) is methyl 2,5-dimethyl-4-[(2-methylpiperidin-4-yl)sulfamoyl]furan-3-carboxylate.
What is the SMILES notation for methyl 2,5-dimethyl-4-[(2-methylpiperidin-4-yl)sulfamoyl]furan-3-carboxylate?
The canonical SMILES for methyl 2,5-dimethyl-4-[(2-methylpiperidin-4-yl)sulfamoyl]furan-3-carboxylate is COC(=O)c1c(C)oc(C)c1S(=O)(=O)NC1CCNC(C)C1.
What is the InChIKey of methyl 2,5-dimethyl-4-[(2-methylpiperidin-4-yl)sulfamoyl]furan-3-carboxylate?
The InChIKey is IEZCJUNGNCOFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O5S/c1-8-7-11(5-6-15-8)16-22(18,19)13-10(3)21-9(2)12(13)14(17)20-4/h8,11,15-16H,5-7H2,1-4H3.
What are the key properties of methyl 2,5-dimethyl-4-[(2-methylpiperidin-4-yl)sulfamoyl]furan-3-carboxylate?
methyl 2,5-dimethyl-4-[(2-methylpiperidin-4-yl)sulfamoyl]furan-3-carboxylate has a molecular weight of 330.41 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,5-dimethyl-4-[(2-methylpiperidin-4-yl)sulfamoyl]furan-3-carboxylate is sourced from PubChem (CID 120875809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).