8-(4-phenylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane

C19H22N2O3S — CID 59565067

IUPAC8-(4-phenylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
SMILESO=S(=O)(c1ccc(-c2ccccc2)cc1)N1CCC2(CC1)NCCO2
InChIInChI=1S/C19H22N2O3S/c22-25(23,21-13-10-19(11-14-21)20-12-15-24-19)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-9,20H,10-15H2
InChIKeyYEDFUQQVAREQNJ-UHFFFAOYSA-N
MW358.46 g/mol
LogP2.45
Rot. Bonds3

About 8-(4-phenylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane

8-(4-phenylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane (PubChem CID 59565067) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is 8-(4-phenylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-(4-phenylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
PubChem CID59565067
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name8-(4-phenylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
SMILESO=S(=O)(c1ccc(-c2ccccc2)cc1)N1CCC2(CC1)NCCO2
InChIInChI=1S/C19H22N2O3S/c22-25(23,21-13-10-19(11-14-21)20-12-15-24-19)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-9,20H,10-15H2
InChIKeyYEDFUQQVAREQNJ-UHFFFAOYSA-N
XLogP2.45
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(4-phenylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The IUPAC name of 8-(4-phenylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane (CID 59565067) is 8-(4-phenylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane.
What is the SMILES notation for 8-(4-phenylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The canonical SMILES for 8-(4-phenylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane is O=S(=O)(c1ccc(-c2ccccc2)cc1)N1CCC2(CC1)NCCO2.
What is the InChIKey of 8-(4-phenylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The InChIKey is YEDFUQQVAREQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c22-25(23,21-13-10-19(11-14-21)20-12-15-24-19)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-9,20H,10-15H2.
What are the key properties of 8-(4-phenylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
8-(4-phenylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane has a molecular weight of 358.46 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-phenylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane is sourced from PubChem (CID 59565067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).