8-[[butyl(methyl)sulfamoyl]amino]-1,4-dioxaspiro[4.5]decane

C13H26N2O4S — CID 47065113

IUPAC8-[[butyl(methyl)sulfamoyl]amino]-1,4-dioxaspiro[4.5]decane
SMILESCCCCN(C)S(=O)(=O)NC1CCC2(CC1)OCCO2
InChIInChI=1S/C13H26N2O4S/c1-3-4-9-15(2)20(16,17)14-12-5-7-13(8-6-12)18-10-11-19-13/h12,14H,3-11H2,1-2H3
InChIKeyKGZZURQMZAJVAM-UHFFFAOYSA-N
MW306.43 g/mol
LogP1.24
Rot. Bonds6

About 8-[[butyl(methyl)sulfamoyl]amino]-1,4-dioxaspiro[4.5]decane

8-[[butyl(methyl)sulfamoyl]amino]-1,4-dioxaspiro[4.5]decane (PubChem CID 47065113) has the molecular formula C13H26N2O4S and a molecular weight of 306.43 g/mol. Its IUPAC name is 8-[[butyl(methyl)sulfamoyl]amino]-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name8-[[butyl(methyl)sulfamoyl]amino]-1,4-dioxaspiro[4.5]decane
PubChem CID47065113
Molecular FormulaC13H26N2O4S
Molecular Weight306.43 g/mol
Exact Mass306.16
IUPAC Name8-[[butyl(methyl)sulfamoyl]amino]-1,4-dioxaspiro[4.5]decane
SMILESCCCCN(C)S(=O)(=O)NC1CCC2(CC1)OCCO2
InChIInChI=1S/C13H26N2O4S/c1-3-4-9-15(2)20(16,17)14-12-5-7-13(8-6-12)18-10-11-19-13/h12,14H,3-11H2,1-2H3
InChIKeyKGZZURQMZAJVAM-UHFFFAOYSA-N
XLogP1.24
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[[butyl(methyl)sulfamoyl]amino]-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 8-[[butyl(methyl)sulfamoyl]amino]-1,4-dioxaspiro[4.5]decane (CID 47065113) is 8-[[butyl(methyl)sulfamoyl]amino]-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 8-[[butyl(methyl)sulfamoyl]amino]-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 8-[[butyl(methyl)sulfamoyl]amino]-1,4-dioxaspiro[4.5]decane is CCCCN(C)S(=O)(=O)NC1CCC2(CC1)OCCO2.
What is the InChIKey of 8-[[butyl(methyl)sulfamoyl]amino]-1,4-dioxaspiro[4.5]decane?
The InChIKey is KGZZURQMZAJVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O4S/c1-3-4-9-15(2)20(16,17)14-12-5-7-13(8-6-12)18-10-11-19-13/h12,14H,3-11H2,1-2H3.
What are the key properties of 8-[[butyl(methyl)sulfamoyl]amino]-1,4-dioxaspiro[4.5]decane?
8-[[butyl(methyl)sulfamoyl]amino]-1,4-dioxaspiro[4.5]decane has a molecular weight of 306.43 g/mol, XLogP of 1.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[butyl(methyl)sulfamoyl]amino]-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 47065113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).