8-(4-propan-2-ylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane

C16H24N2O3S — CID 59565096

IUPAC8-(4-propan-2-ylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
SMILESCC(C)c1ccc(S(=O)(=O)N2CCC3(CC2)NCCO3)cc1
InChIInChI=1S/C16H24N2O3S/c1-13(2)14-3-5-15(6-4-14)22(19,20)18-10-7-16(8-11-18)17-9-12-21-16/h3-6,13,17H,7-12H2,1-2H3
InChIKeyZJYFOFKZBCRTID-UHFFFAOYSA-N
MW324.45 g/mol
LogP1.91
Rot. Bonds3

About 8-(4-propan-2-ylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane

8-(4-propan-2-ylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane (PubChem CID 59565096) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is 8-(4-propan-2-ylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-(4-propan-2-ylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
PubChem CID59565096
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name8-(4-propan-2-ylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
SMILESCC(C)c1ccc(S(=O)(=O)N2CCC3(CC2)NCCO3)cc1
InChIInChI=1S/C16H24N2O3S/c1-13(2)14-3-5-15(6-4-14)22(19,20)18-10-7-16(8-11-18)17-9-12-21-16/h3-6,13,17H,7-12H2,1-2H3
InChIKeyZJYFOFKZBCRTID-UHFFFAOYSA-N
XLogP1.91
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(4-propan-2-ylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The IUPAC name of 8-(4-propan-2-ylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane (CID 59565096) is 8-(4-propan-2-ylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane.
What is the SMILES notation for 8-(4-propan-2-ylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The canonical SMILES for 8-(4-propan-2-ylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane is CC(C)c1ccc(S(=O)(=O)N2CCC3(CC2)NCCO3)cc1.
What is the InChIKey of 8-(4-propan-2-ylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The InChIKey is ZJYFOFKZBCRTID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-13(2)14-3-5-15(6-4-14)22(19,20)18-10-7-16(8-11-18)17-9-12-21-16/h3-6,13,17H,7-12H2,1-2H3.
What are the key properties of 8-(4-propan-2-ylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
8-(4-propan-2-ylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane has a molecular weight of 324.45 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-propan-2-ylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane is sourced from PubChem (CID 59565096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).