2-(4-ethylsulfonylphenyl)-2-azaspiro[4.5]decane

C17H25NO2S — CID 141308714

IUPAC2-(4-ethylsulfonylphenyl)-2-azaspiro[4.5]decane
SMILESCCS(=O)(=O)c1ccc(N2CCC3(CCCCC3)C2)cc1
InChIInChI=1S/C17H25NO2S/c1-2-21(19,20)16-8-6-15(7-9-16)18-13-12-17(14-18)10-4-3-5-11-17/h6-9H,2-5,10-14H2,1H3
InChIKeyMNIGTVAULXQRFL-UHFFFAOYSA-N
MW307.46 g/mol
LogP3.64
Rot. Bonds3

About 2-(4-ethylsulfonylphenyl)-2-azaspiro[4.5]decane

2-(4-ethylsulfonylphenyl)-2-azaspiro[4.5]decane (PubChem CID 141308714) has the molecular formula C17H25NO2S and a molecular weight of 307.46 g/mol. Its IUPAC name is 2-(4-ethylsulfonylphenyl)-2-azaspiro[4.5]decane.

Molecular Properties

Compound Name2-(4-ethylsulfonylphenyl)-2-azaspiro[4.5]decane
PubChem CID141308714
Molecular FormulaC17H25NO2S
Molecular Weight307.46 g/mol
Exact Mass307.16
IUPAC Name2-(4-ethylsulfonylphenyl)-2-azaspiro[4.5]decane
SMILESCCS(=O)(=O)c1ccc(N2CCC3(CCCCC3)C2)cc1
InChIInChI=1S/C17H25NO2S/c1-2-21(19,20)16-8-6-15(7-9-16)18-13-12-17(14-18)10-4-3-5-11-17/h6-9H,2-5,10-14H2,1H3
InChIKeyMNIGTVAULXQRFL-UHFFFAOYSA-N
XLogP3.64
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylsulfonylphenyl)-2-azaspiro[4.5]decane?
The IUPAC name of 2-(4-ethylsulfonylphenyl)-2-azaspiro[4.5]decane (CID 141308714) is 2-(4-ethylsulfonylphenyl)-2-azaspiro[4.5]decane.
What is the SMILES notation for 2-(4-ethylsulfonylphenyl)-2-azaspiro[4.5]decane?
The canonical SMILES for 2-(4-ethylsulfonylphenyl)-2-azaspiro[4.5]decane is CCS(=O)(=O)c1ccc(N2CCC3(CCCCC3)C2)cc1.
What is the InChIKey of 2-(4-ethylsulfonylphenyl)-2-azaspiro[4.5]decane?
The InChIKey is MNIGTVAULXQRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2S/c1-2-21(19,20)16-8-6-15(7-9-16)18-13-12-17(14-18)10-4-3-5-11-17/h6-9H,2-5,10-14H2,1H3.
What are the key properties of 2-(4-ethylsulfonylphenyl)-2-azaspiro[4.5]decane?
2-(4-ethylsulfonylphenyl)-2-azaspiro[4.5]decane has a molecular weight of 307.46 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylsulfonylphenyl)-2-azaspiro[4.5]decane is sourced from PubChem (CID 141308714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).