methyl 5-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)-2-methylfuran-3-carboxylate

C14H20N2O5S — CID 119968151

IUPACmethyl 5-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)NC2CC3CCC(C2)N3)oc1C
InChIInChI=1S/C14H20N2O5S/c1-8-12(14(17)20-2)7-13(21-8)22(18,19)16-11-5-9-3-4-10(6-11)15-9/h7,9-11,15-16H,3-6H2,1-2H3
InChIKeySEYHKSPTNWWQCH-UHFFFAOYSA-N
MW328.39 g/mol
LogP0.94
Rot. Bonds4

About methyl 5-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)-2-methylfuran-3-carboxylate

methyl 5-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)-2-methylfuran-3-carboxylate (PubChem CID 119968151) has the molecular formula C14H20N2O5S and a molecular weight of 328.39 g/mol. Its IUPAC name is methyl 5-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)-2-methylfuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)-2-methylfuran-3-carboxylate
PubChem CID119968151
Molecular FormulaC14H20N2O5S
Molecular Weight328.39 g/mol
Exact Mass328.11
IUPAC Namemethyl 5-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)NC2CC3CCC(C2)N3)oc1C
InChIInChI=1S/C14H20N2O5S/c1-8-12(14(17)20-2)7-13(21-8)22(18,19)16-11-5-9-3-4-10(6-11)15-9/h7,9-11,15-16H,3-6H2,1-2H3
InChIKeySEYHKSPTNWWQCH-UHFFFAOYSA-N
XLogP0.94
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 5-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)-2-methylfuran-3-carboxylate with MolForge

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Related Compounds

methyl 2-methyl-5-(pyrrolidin-3-ylsulfamoyl)furan-3-carboxylate
CID 119967240
methyl 4-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)-2-methylbenzoate;hydrochloride
CID 119968215
methyl 4-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)benzoate
CID 119967795
methyl 4-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)-3-methoxybenzoate;hydrochloride
CID 120707728
methyl 5-(4-aminopiperidin-1-yl)sulfonyl-2-methylfuran-3-carboxylate
CID 119959348
5-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)-2-methoxybenzamide
CID 119967645
5-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)-2-methoxybenzamide;hydrochloride
CID 119967644
ethyl 5-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 119967799
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-fluoro-4,5-dimethoxybenzenesulfonamide;hydrochloride
CID 119967957
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-fluoro-3,5-dimethylbenzenesulfonamide
CID 119967835
N-(8-azabicyclo[3.2.1]octan-3-yl)-2,4-difluoro-5-methylbenzenesulfonamide;hydrochloride
CID 119967769
(2R)-2-[(4-methoxycarbonyl-5-methylfuran-2-yl)sulfonylamino]butanoic acid
CID 167848056

Frequently Asked Questions

What is the IUPAC name of methyl 5-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)-2-methylfuran-3-carboxylate?
The IUPAC name of methyl 5-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)-2-methylfuran-3-carboxylate (CID 119968151) is methyl 5-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)-2-methylfuran-3-carboxylate.
What is the SMILES notation for methyl 5-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)-2-methylfuran-3-carboxylate?
The canonical SMILES for methyl 5-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)-2-methylfuran-3-carboxylate is COC(=O)c1cc(S(=O)(=O)NC2CC3CCC(C2)N3)oc1C.
What is the InChIKey of methyl 5-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)-2-methylfuran-3-carboxylate?
The InChIKey is SEYHKSPTNWWQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5S/c1-8-12(14(17)20-2)7-13(21-8)22(18,19)16-11-5-9-3-4-10(6-11)15-9/h7,9-11,15-16H,3-6H2,1-2H3.
What are the key properties of methyl 5-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)-2-methylfuran-3-carboxylate?
methyl 5-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)-2-methylfuran-3-carboxylate has a molecular weight of 328.39 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)-2-methylfuran-3-carboxylate is sourced from PubChem (CID 119968151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).