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

C14H23ClN2O5S — CID 120726214

IUPACmethyl 5-ethyl-4-[(2-methylpiperidin-3-yl)sulfamoyl]furan-2-carboxylate;hydrochloride
SMILESCCc1oc(C(=O)OC)cc1S(=O)(=O)NC1CCCNC1C.Cl
InChIInChI=1S/C14H22N2O5S.ClH/c1-4-11-13(8-12(21-11)14(17)20-3)22(18,19)16-10-6-5-7-15-9(10)2;/h8-10,15-16H,4-7H2,1-3H3;1H
InChIKeyJVNNXORYESYPPA-UHFFFAOYSA-N
MW366.87 g/mol
LogP1.47
Rot. Bonds5

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

methyl 5-ethyl-4-[(2-methylpiperidin-3-yl)sulfamoyl]furan-2-carboxylate;hydrochloride (PubChem CID 120726214) has the molecular formula C14H23ClN2O5S and a molecular weight of 366.87 g/mol. Its IUPAC name is methyl 5-ethyl-4-[(2-methylpiperidin-3-yl)sulfamoyl]furan-2-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 5-ethyl-4-[(2-methylpiperidin-3-yl)sulfamoyl]furan-2-carboxylate;hydrochloride
PubChem CID120726214
Molecular FormulaC14H23ClN2O5S
Molecular Weight366.87 g/mol
Exact Mass366.10
IUPAC Namemethyl 5-ethyl-4-[(2-methylpiperidin-3-yl)sulfamoyl]furan-2-carboxylate;hydrochloride
SMILESCCc1oc(C(=O)OC)cc1S(=O)(=O)NC1CCCNC1C.Cl
InChIInChI=1S/C14H22N2O5S.ClH/c1-4-11-13(8-12(21-11)14(17)20-3)22(18,19)16-10-6-5-7-15-9(10)2;/h8-10,15-16H,4-7H2,1-3H3;1H
InChIKeyJVNNXORYESYPPA-UHFFFAOYSA-N
XLogP1.47
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

dimethyl 2-[(2-methylpiperidin-3-yl)sulfamoyl]benzene-1,4-dicarboxylate;hydrochloride
CID 120726589
methyl 5-methyl-2-[(2-methylpiperidin-3-yl)sulfamoyl]benzoate;hydrochloride
CID 120726210
methyl 5-methyl-4-[(3-methylpiperidin-4-yl)sulfamoyl]furan-2-carboxylate
CID 120725208
ethyl 3-fluoro-5-[(2-methylpiperidin-3-yl)sulfamoyl]benzoate;hydrochloride
CID 120726431
2-(ethylsulfonylamino)-4-methoxy-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 120726627
methyl 5-ethyl-4-[2-(propylamino)ethylsulfamoyl]furan-2-carboxylate
CID 120715901
6-methyl-N-(2-methylpiperidin-3-yl)-1,3-benzodioxole-5-sulfonamide
CID 120876654
5-bromo-2-methyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
CID 120726195
6-bromo-N-(2-methylpiperidin-3-yl)-2,3-dihydro-1,4-benzodioxine-7-sulfonamide
CID 120726236
methyl 3-[(2-methylpiperidin-3-yl)sulfamoyl]-1-benzothiophene-2-carboxylate
CID 120726741
2,5-dibromo-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 114695307
2,4-dimethyl-N-[(2R,3R)-2-methylpiperidin-3-yl]benzenesulfonamide
CID 124515702

Frequently Asked Questions

What is the IUPAC name of methyl 5-ethyl-4-[(2-methylpiperidin-3-yl)sulfamoyl]furan-2-carboxylate;hydrochloride?
The IUPAC name of methyl 5-ethyl-4-[(2-methylpiperidin-3-yl)sulfamoyl]furan-2-carboxylate;hydrochloride (CID 120726214) is methyl 5-ethyl-4-[(2-methylpiperidin-3-yl)sulfamoyl]furan-2-carboxylate;hydrochloride.
What is the SMILES notation for methyl 5-ethyl-4-[(2-methylpiperidin-3-yl)sulfamoyl]furan-2-carboxylate;hydrochloride?
The canonical SMILES for methyl 5-ethyl-4-[(2-methylpiperidin-3-yl)sulfamoyl]furan-2-carboxylate;hydrochloride is CCc1oc(C(=O)OC)cc1S(=O)(=O)NC1CCCNC1C.Cl.
What is the InChIKey of methyl 5-ethyl-4-[(2-methylpiperidin-3-yl)sulfamoyl]furan-2-carboxylate;hydrochloride?
The InChIKey is JVNNXORYESYPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O5S.ClH/c1-4-11-13(8-12(21-11)14(17)20-3)22(18,19)16-10-6-5-7-15-9(10)2;/h8-10,15-16H,4-7H2,1-3H3;1H.
What are the key properties of methyl 5-ethyl-4-[(2-methylpiperidin-3-yl)sulfamoyl]furan-2-carboxylate;hydrochloride?
methyl 5-ethyl-4-[(2-methylpiperidin-3-yl)sulfamoyl]furan-2-carboxylate;hydrochloride has a molecular weight of 366.87 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-ethyl-4-[(2-methylpiperidin-3-yl)sulfamoyl]furan-2-carboxylate;hydrochloride is sourced from PubChem (CID 120726214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).