2-(2-methylphenyl)sulfonyl-2,8-diazaspiro[5.5]undecane

C16H24N2O2S — CID 102850032

IUPAC2-(2-methylphenyl)sulfonyl-2,8-diazaspiro[5.5]undecane
SMILESCc1ccccc1S(=O)(=O)N1CCCC2(CCCNC2)C1
InChIInChI=1S/C16H24N2O2S/c1-14-6-2-3-7-15(14)21(19,20)18-11-5-9-16(13-18)8-4-10-17-12-16/h2-3,6-7,17H,4-5,8-13H2,1H3
InChIKeyDWHWVESLYRASQZ-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.15
Rot. Bonds2

About 2-(2-methylphenyl)sulfonyl-2,8-diazaspiro[5.5]undecane

2-(2-methylphenyl)sulfonyl-2,8-diazaspiro[5.5]undecane (PubChem CID 102850032) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 2-(2-methylphenyl)sulfonyl-2,8-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name2-(2-methylphenyl)sulfonyl-2,8-diazaspiro[5.5]undecane
PubChem CID102850032
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name2-(2-methylphenyl)sulfonyl-2,8-diazaspiro[5.5]undecane
SMILESCc1ccccc1S(=O)(=O)N1CCCC2(CCCNC2)C1
InChIInChI=1S/C16H24N2O2S/c1-14-6-2-3-7-15(14)21(19,20)18-11-5-9-16(13-18)8-4-10-17-12-16/h2-3,6-7,17H,4-5,8-13H2,1H3
InChIKeyDWHWVESLYRASQZ-UHFFFAOYSA-N
XLogP2.15
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)sulfonyl-2,8-diazaspiro[5.5]undecane?
The IUPAC name of 2-(2-methylphenyl)sulfonyl-2,8-diazaspiro[5.5]undecane (CID 102850032) is 2-(2-methylphenyl)sulfonyl-2,8-diazaspiro[5.5]undecane.
What is the SMILES notation for 2-(2-methylphenyl)sulfonyl-2,8-diazaspiro[5.5]undecane?
The canonical SMILES for 2-(2-methylphenyl)sulfonyl-2,8-diazaspiro[5.5]undecane is Cc1ccccc1S(=O)(=O)N1CCCC2(CCCNC2)C1.
What is the InChIKey of 2-(2-methylphenyl)sulfonyl-2,8-diazaspiro[5.5]undecane?
The InChIKey is DWHWVESLYRASQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-14-6-2-3-7-15(14)21(19,20)18-11-5-9-16(13-18)8-4-10-17-12-16/h2-3,6-7,17H,4-5,8-13H2,1H3.
What are the key properties of 2-(2-methylphenyl)sulfonyl-2,8-diazaspiro[5.5]undecane?
2-(2-methylphenyl)sulfonyl-2,8-diazaspiro[5.5]undecane has a molecular weight of 308.45 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)sulfonyl-2,8-diazaspiro[5.5]undecane is sourced from PubChem (CID 102850032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).