12-propylsulfonyl-7,8,15,16-tetraoxa-12-azadispiro[5.2.59.26]hexadecane

C14H25NO6S — CID 171348273

IUPAC12-propylsulfonyl-7,8,15,16-tetraoxa-12-azadispiro[5.2.59.26]hexadecane
SMILESCCCS(=O)(=O)N1CCC2(CC1)OOC1(CCCCC1)OO2
InChIInChI=1S/C14H25NO6S/c1-2-12-22(16,17)15-10-8-14(9-11-15)20-18-13(19-21-14)6-4-3-5-7-13/h2-12H2,1H3
InChIKeyABPKJBOMJRHNNY-UHFFFAOYSA-N
MW335.42 g/mol
LogP2.09
Rot. Bonds3

About 12-propylsulfonyl-7,8,15,16-tetraoxa-12-azadispiro[5.2.59.26]hexadecane

12-propylsulfonyl-7,8,15,16-tetraoxa-12-azadispiro[5.2.59.26]hexadecane (PubChem CID 171348273) has the molecular formula C14H25NO6S and a molecular weight of 335.42 g/mol. Its IUPAC name is 12-propylsulfonyl-7,8,15,16-tetraoxa-12-azadispiro[5.2.59.26]hexadecane.

Molecular Properties

Compound Name12-propylsulfonyl-7,8,15,16-tetraoxa-12-azadispiro[5.2.59.26]hexadecane
PubChem CID171348273
Molecular FormulaC14H25NO6S
Molecular Weight335.42 g/mol
Exact Mass335.14
IUPAC Name12-propylsulfonyl-7,8,15,16-tetraoxa-12-azadispiro[5.2.59.26]hexadecane
SMILESCCCS(=O)(=O)N1CCC2(CC1)OOC1(CCCCC1)OO2
InChIInChI=1S/C14H25NO6S/c1-2-12-22(16,17)15-10-8-14(9-11-15)20-18-13(19-21-14)6-4-3-5-7-13/h2-12H2,1H3
InChIKeyABPKJBOMJRHNNY-UHFFFAOYSA-N
XLogP2.09
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 12-propylsulfonyl-7,8,15,16-tetraoxa-12-azadispiro[5.2.59.26]hexadecane?
The IUPAC name of 12-propylsulfonyl-7,8,15,16-tetraoxa-12-azadispiro[5.2.59.26]hexadecane (CID 171348273) is 12-propylsulfonyl-7,8,15,16-tetraoxa-12-azadispiro[5.2.59.26]hexadecane.
What is the SMILES notation for 12-propylsulfonyl-7,8,15,16-tetraoxa-12-azadispiro[5.2.59.26]hexadecane?
The canonical SMILES for 12-propylsulfonyl-7,8,15,16-tetraoxa-12-azadispiro[5.2.59.26]hexadecane is CCCS(=O)(=O)N1CCC2(CC1)OOC1(CCCCC1)OO2.
What is the InChIKey of 12-propylsulfonyl-7,8,15,16-tetraoxa-12-azadispiro[5.2.59.26]hexadecane?
The InChIKey is ABPKJBOMJRHNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO6S/c1-2-12-22(16,17)15-10-8-14(9-11-15)20-18-13(19-21-14)6-4-3-5-7-13/h2-12H2,1H3.
What are the key properties of 12-propylsulfonyl-7,8,15,16-tetraoxa-12-azadispiro[5.2.59.26]hexadecane?
12-propylsulfonyl-7,8,15,16-tetraoxa-12-azadispiro[5.2.59.26]hexadecane has a molecular weight of 335.42 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 12-propylsulfonyl-7,8,15,16-tetraoxa-12-azadispiro[5.2.59.26]hexadecane is sourced from PubChem (CID 171348273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).