methyl 5-methyl-4-(3-tricyclo[3.2.1.02,4]octanylsulfamoyl)furan-2-carboxylate

C15H19NO5S — CID 91646253

IUPACmethyl 5-methyl-4-(3-tricyclo[3.2.1.02,4]octanylsulfamoyl)furan-2-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)NC2C3C4CCC(C4)C23)c(C)o1
InChIInChI=1S/C15H19NO5S/c1-7-11(6-10(21-7)15(17)20-2)22(18,19)16-14-12-8-3-4-9(5-8)13(12)14/h6,8-9,12-14,16H,3-5H2,1-2H3
InChIKeyIDFJZMZICDHLPS-UHFFFAOYSA-N
MW325.39 g/mol
LogP1.70
Rot. Bonds4

About methyl 5-methyl-4-(3-tricyclo[3.2.1.02,4]octanylsulfamoyl)furan-2-carboxylate

methyl 5-methyl-4-(3-tricyclo[3.2.1.02,4]octanylsulfamoyl)furan-2-carboxylate (PubChem CID 91646253) has the molecular formula C15H19NO5S and a molecular weight of 325.39 g/mol. Its IUPAC name is methyl 5-methyl-4-(3-tricyclo[3.2.1.02,4]octanylsulfamoyl)furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-4-(3-tricyclo[3.2.1.02,4]octanylsulfamoyl)furan-2-carboxylate
PubChem CID91646253
Molecular FormulaC15H19NO5S
Molecular Weight325.39 g/mol
Exact Mass325.10
IUPAC Namemethyl 5-methyl-4-(3-tricyclo[3.2.1.02,4]octanylsulfamoyl)furan-2-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)NC2C3C4CCC(C4)C23)c(C)o1
InChIInChI=1S/C15H19NO5S/c1-7-11(6-10(21-7)15(17)20-2)22(18,19)16-14-12-8-3-4-9(5-8)13(12)14/h6,8-9,12-14,16H,3-5H2,1-2H3
InChIKeyIDFJZMZICDHLPS-UHFFFAOYSA-N
XLogP1.70
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 5-methyl-4-(3-tricyclo[3.2.1.02,4]octanylsulfamoyl)furan-2-carboxylate with MolForge

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Related Compounds

methyl 5-methyl-4-[(3-methylpiperidin-4-yl)sulfamoyl]furan-2-carboxylate
CID 120725208
5-methyl-4-sulfamoyl-N-(3-tricyclo[3.2.1.02,4]octanyl)furan-2-carboxamide
CID 103767080
4-(cyclopropylsulfamoyl)-5-methylfuran-2-carboxylic acid
CID 62805751
4-[(3-methoxycyclopentyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 103091364
7-(5-methoxycarbonyl-2-methylfuran-3-yl)sulfonyl-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 122072358
methyl 4-(4-amino-3,3-dimethylpiperidin-1-yl)sulfonyl-5-methylfuran-2-carboxylate
CID 120778972
4-[(2-methoxycyclopentyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 62805249
5-methyl-4-(7-oxabicyclo[2.2.1]heptan-2-ylsulfamoyl)furan-2-carboxylic acid
CID 80714939
methyl 4-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]-5-methylfuran-2-carboxylate;hydrochloride
CID 120607171
methyl 5-methyl-4-(1,2,3,6-tetrahydropyridin-4-ylmethylsulfamoyl)furan-2-carboxylate
CID 120721777
methyl 4-[[(2R)-2-(ethylamino)propyl]sulfamoyl]-5-methylfuran-2-carboxylate
CID 120664764
4-[(2,2-dimethylcyclopentyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 79861610

Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-4-(3-tricyclo[3.2.1.02,4]octanylsulfamoyl)furan-2-carboxylate?
The IUPAC name of methyl 5-methyl-4-(3-tricyclo[3.2.1.02,4]octanylsulfamoyl)furan-2-carboxylate (CID 91646253) is methyl 5-methyl-4-(3-tricyclo[3.2.1.02,4]octanylsulfamoyl)furan-2-carboxylate.
What is the SMILES notation for methyl 5-methyl-4-(3-tricyclo[3.2.1.02,4]octanylsulfamoyl)furan-2-carboxylate?
The canonical SMILES for methyl 5-methyl-4-(3-tricyclo[3.2.1.02,4]octanylsulfamoyl)furan-2-carboxylate is COC(=O)c1cc(S(=O)(=O)NC2C3C4CCC(C4)C23)c(C)o1.
What is the InChIKey of methyl 5-methyl-4-(3-tricyclo[3.2.1.02,4]octanylsulfamoyl)furan-2-carboxylate?
The InChIKey is IDFJZMZICDHLPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5S/c1-7-11(6-10(21-7)15(17)20-2)22(18,19)16-14-12-8-3-4-9(5-8)13(12)14/h6,8-9,12-14,16H,3-5H2,1-2H3.
What are the key properties of methyl 5-methyl-4-(3-tricyclo[3.2.1.02,4]octanylsulfamoyl)furan-2-carboxylate?
methyl 5-methyl-4-(3-tricyclo[3.2.1.02,4]octanylsulfamoyl)furan-2-carboxylate has a molecular weight of 325.39 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-4-(3-tricyclo[3.2.1.02,4]octanylsulfamoyl)furan-2-carboxylate is sourced from PubChem (CID 91646253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).