8-(3-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane

C14H20N2O3S — CID 59565032

IUPAC8-(3-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
SMILESCc1cccc(S(=O)(=O)N2CCC3(CC2)NCCO3)c1
InChIInChI=1S/C14H20N2O3S/c1-12-3-2-4-13(11-12)20(17,18)16-8-5-14(6-9-16)15-7-10-19-14/h2-4,11,15H,5-10H2,1H3
InChIKeyNAYDJOFRLYPLFV-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.10
Rot. Bonds2

About 8-(3-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane

8-(3-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane (PubChem CID 59565032) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 8-(3-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-(3-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
PubChem CID59565032
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name8-(3-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
SMILESCc1cccc(S(=O)(=O)N2CCC3(CC2)NCCO3)c1
InChIInChI=1S/C14H20N2O3S/c1-12-3-2-4-13(11-12)20(17,18)16-8-5-14(6-9-16)15-7-10-19-14/h2-4,11,15H,5-10H2,1H3
InChIKeyNAYDJOFRLYPLFV-UHFFFAOYSA-N
XLogP1.10
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(3-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The IUPAC name of 8-(3-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane (CID 59565032) is 8-(3-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane.
What is the SMILES notation for 8-(3-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The canonical SMILES for 8-(3-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane is Cc1cccc(S(=O)(=O)N2CCC3(CC2)NCCO3)c1.
What is the InChIKey of 8-(3-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The InChIKey is NAYDJOFRLYPLFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-12-3-2-4-13(11-12)20(17,18)16-8-5-14(6-9-16)15-7-10-19-14/h2-4,11,15H,5-10H2,1H3.
What are the key properties of 8-(3-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
8-(3-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane has a molecular weight of 296.39 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane is sourced from PubChem (CID 59565032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).