methyl 4-(1,4-dioxaspiro[4.5]decan-8-ylsulfamoyl)benzoate

C16H21NO6S — CID 47065116

IUPACmethyl 4-(1,4-dioxaspiro[4.5]decan-8-ylsulfamoyl)benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)NC2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C16H21NO6S/c1-21-15(18)12-2-4-14(5-3-12)24(19,20)17-13-6-8-16(9-7-13)22-10-11-23-16/h2-5,13,17H,6-11H2,1H3
InChIKeyOGYWSHCGDBJQRP-UHFFFAOYSA-N
MW355.41 g/mol
LogP1.44
Rot. Bonds4

About methyl 4-(1,4-dioxaspiro[4.5]decan-8-ylsulfamoyl)benzoate

methyl 4-(1,4-dioxaspiro[4.5]decan-8-ylsulfamoyl)benzoate (PubChem CID 47065116) has the molecular formula C16H21NO6S and a molecular weight of 355.41 g/mol. Its IUPAC name is methyl 4-(1,4-dioxaspiro[4.5]decan-8-ylsulfamoyl)benzoate.

Molecular Properties

Compound Namemethyl 4-(1,4-dioxaspiro[4.5]decan-8-ylsulfamoyl)benzoate
PubChem CID47065116
Molecular FormulaC16H21NO6S
Molecular Weight355.41 g/mol
Exact Mass355.11
IUPAC Namemethyl 4-(1,4-dioxaspiro[4.5]decan-8-ylsulfamoyl)benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)NC2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C16H21NO6S/c1-21-15(18)12-2-4-14(5-3-12)24(19,20)17-13-6-8-16(9-7-13)22-10-11-23-16/h2-5,13,17H,6-11H2,1H3
InChIKeyOGYWSHCGDBJQRP-UHFFFAOYSA-N
XLogP1.44
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 124505936
methyl 4-(7-oxaspiro[3.5]nonan-3-ylsulfamoyl)benzoate
CID 122276607
methyl 4-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)benzoate
CID 119967795
3-bromo-N-(1,4-dioxaspiro[4.5]decan-8-yl)benzenesulfonamide
CID 51121937
4-acetyl-N-(2,2-dimethyloxan-4-yl)benzenesulfonamide
CID 115563563
tert-butyl 4-[(4-methoxycarbonylphenyl)sulfonylamino]piperidine-1-carboxylate
CID 53256088
4-acetyl-N-(oxolan-3-yl)benzenesulfonamide
CID 80712927
methyl 4-(dicyclopropylmethylsulfamoyl)benzoate
CID 31847332
4-(4-acetylphenyl)-N-cyclopentylbenzenesulfonamide
CID 110454111
sodium 4-(cyclohexylsulfamoyl)benzoate
CID 122705986
N-cyclopropyl-4-(2-methylpropanoyl)benzenesulfonamide
CID 82164865
methyl 4-[[2-[4-(cyclohexylsulfamoyl)phenoxy]acetyl]amino]benzoate
CID 45374668

Frequently Asked Questions

What is the IUPAC name of methyl 4-(1,4-dioxaspiro[4.5]decan-8-ylsulfamoyl)benzoate?
The IUPAC name of methyl 4-(1,4-dioxaspiro[4.5]decan-8-ylsulfamoyl)benzoate (CID 47065116) is methyl 4-(1,4-dioxaspiro[4.5]decan-8-ylsulfamoyl)benzoate.
What is the SMILES notation for methyl 4-(1,4-dioxaspiro[4.5]decan-8-ylsulfamoyl)benzoate?
The canonical SMILES for methyl 4-(1,4-dioxaspiro[4.5]decan-8-ylsulfamoyl)benzoate is COC(=O)c1ccc(S(=O)(=O)NC2CCC3(CC2)OCCO3)cc1.
What is the InChIKey of methyl 4-(1,4-dioxaspiro[4.5]decan-8-ylsulfamoyl)benzoate?
The InChIKey is OGYWSHCGDBJQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO6S/c1-21-15(18)12-2-4-14(5-3-12)24(19,20)17-13-6-8-16(9-7-13)22-10-11-23-16/h2-5,13,17H,6-11H2,1H3.
What are the key properties of methyl 4-(1,4-dioxaspiro[4.5]decan-8-ylsulfamoyl)benzoate?
methyl 4-(1,4-dioxaspiro[4.5]decan-8-ylsulfamoyl)benzoate has a molecular weight of 355.41 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(1,4-dioxaspiro[4.5]decan-8-ylsulfamoyl)benzoate is sourced from PubChem (CID 47065116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).