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

C15H22N2O3S — CID 58245108

IUPAC4-(4-ethylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
SMILESCCc1ccc(S(=O)(=O)N2CCOC23CCNCC3)cc1
InChIInChI=1S/C15H22N2O3S/c1-2-13-3-5-14(6-4-13)21(18,19)17-11-12-20-15(17)7-9-16-10-8-15/h3-6,16H,2,7-12H2,1H3
InChIKeyVKEICOHEWKOJMU-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.35
Rot. Bonds3

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

4-(4-ethylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane (PubChem CID 58245108) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 4-(4-ethylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name4-(4-ethylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
PubChem CID58245108
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name4-(4-ethylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
SMILESCCc1ccc(S(=O)(=O)N2CCOC23CCNCC3)cc1
InChIInChI=1S/C15H22N2O3S/c1-2-13-3-5-14(6-4-13)21(18,19)17-11-12-20-15(17)7-9-16-10-8-15/h3-6,16H,2,7-12H2,1H3
InChIKeyVKEICOHEWKOJMU-UHFFFAOYSA-N
XLogP1.35
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The IUPAC name of 4-(4-ethylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane (CID 58245108) is 4-(4-ethylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane.
What is the SMILES notation for 4-(4-ethylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The canonical SMILES for 4-(4-ethylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane is CCc1ccc(S(=O)(=O)N2CCOC23CCNCC3)cc1.
What is the InChIKey of 4-(4-ethylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The InChIKey is VKEICOHEWKOJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-2-13-3-5-14(6-4-13)21(18,19)17-11-12-20-15(17)7-9-16-10-8-15/h3-6,16H,2,7-12H2,1H3.
What are the key properties of 4-(4-ethylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
4-(4-ethylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane has a molecular weight of 310.42 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane is sourced from PubChem (CID 58245108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).