8-(3H-inden-1-ylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane

C16H20N2O3S — CID 91520241

IUPAC8-(3H-inden-1-ylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane
SMILESO=S(=O)(C1=CCc2ccccc21)N1CCC2(CC1)NCCO2
InChIInChI=1S/C16H20N2O3S/c19-22(20,15-6-5-13-3-1-2-4-14(13)15)18-10-7-16(8-11-18)17-9-12-21-16/h1-4,6,17H,5,7-12H2
InChIKeyWRHAEJJOGNIVDJ-UHFFFAOYSA-N
MW320.41 g/mol
LogP1.33
Rot. Bonds2

About 8-(3H-inden-1-ylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane

8-(3H-inden-1-ylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane (PubChem CID 91520241) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is 8-(3H-inden-1-ylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-(3H-inden-1-ylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane
PubChem CID91520241
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC Name8-(3H-inden-1-ylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane
SMILESO=S(=O)(C1=CCc2ccccc21)N1CCC2(CC1)NCCO2
InChIInChI=1S/C16H20N2O3S/c19-22(20,15-6-5-13-3-1-2-4-14(13)15)18-10-7-16(8-11-18)17-9-12-21-16/h1-4,6,17H,5,7-12H2
InChIKeyWRHAEJJOGNIVDJ-UHFFFAOYSA-N
XLogP1.33
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(3H-inden-1-ylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane?
The IUPAC name of 8-(3H-inden-1-ylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane (CID 91520241) is 8-(3H-inden-1-ylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane.
What is the SMILES notation for 8-(3H-inden-1-ylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane?
The canonical SMILES for 8-(3H-inden-1-ylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane is O=S(=O)(C1=CCc2ccccc21)N1CCC2(CC1)NCCO2.
What is the InChIKey of 8-(3H-inden-1-ylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane?
The InChIKey is WRHAEJJOGNIVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S/c19-22(20,15-6-5-13-3-1-2-4-14(13)15)18-10-7-16(8-11-18)17-9-12-21-16/h1-4,6,17H,5,7-12H2.
What are the key properties of 8-(3H-inden-1-ylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane?
8-(3H-inden-1-ylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane has a molecular weight of 320.41 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3H-inden-1-ylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane is sourced from PubChem (CID 91520241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).