2-(4-methylphenyl)sulfonyl-2,8-diazaspiro[4.5]decane

C15H22N2O2S — CID 120718665

IUPAC2-(4-methylphenyl)sulfonyl-2,8-diazaspiro[4.5]decane
SMILESCc1ccc(S(=O)(=O)N2CCC3(CCNCC3)C2)cc1
InChIInChI=1S/C15H22N2O2S/c1-13-2-4-14(5-3-13)20(18,19)17-11-8-15(12-17)6-9-16-10-7-15/h2-5,16H,6-12H2,1H3
InChIKeyFNFDHZAHXNNQLR-UHFFFAOYSA-N
MW294.42 g/mol
LogP1.76
Rot. Bonds2

About 2-(4-methylphenyl)sulfonyl-2,8-diazaspiro[4.5]decane

2-(4-methylphenyl)sulfonyl-2,8-diazaspiro[4.5]decane (PubChem CID 120718665) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 2-(4-methylphenyl)sulfonyl-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-(4-methylphenyl)sulfonyl-2,8-diazaspiro[4.5]decane
PubChem CID120718665
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name2-(4-methylphenyl)sulfonyl-2,8-diazaspiro[4.5]decane
SMILESCc1ccc(S(=O)(=O)N2CCC3(CCNCC3)C2)cc1
InChIInChI=1S/C15H22N2O2S/c1-13-2-4-14(5-3-13)20(18,19)17-11-8-15(12-17)6-9-16-10-7-15/h2-5,16H,6-12H2,1H3
InChIKeyFNFDHZAHXNNQLR-UHFFFAOYSA-N
XLogP1.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-nitrophenyl)sulfonyl-2,8-diazaspiro[4.5]decane
CID 120718684
2,6-bis-(4-methylphenyl)sulfonyl-2,6-diazaspiro[3.3]heptane
CID 44829122
2-(benzenesulfonyl)-2,7-diazaspiro[4.4]nonane
CID 82038202
1-(4-methylphenyl)sulfonyl-1,4,7-triazonane;1,4,7-tris-(4-methylphenyl)sulfonyl-1,4,7-triazonane
CID 172867320
2-pyridin-3-ylsulfonyl-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120718656
3-(benzenesulfonyl)-3,9-diazaspiro[5.5]undecane;hydrochloride
CID 155843749
2-azaspiro[3.3]heptane;2-(4-methylphenyl)sulfonyl-2-azaspiro[3.3]heptane
CID 157437716
2-(1-methylimidazol-4-yl)sulfonyl-2,8-diazaspiro[4.5]decane
CID 120718639
2-(2-methyl-6-nitrophenyl)sulfonyl-2,8-diazaspiro[4.5]decane
CID 120718601
2-(4,5-dimethyl-2-nitrophenyl)sulfonyl-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120718636
2-(1-propylpyrazol-4-yl)sulfonyl-2,8-diazaspiro[4.5]decane;hydrochloride
CID 154906899
4-methyl-1-(4-methylphenyl)sulfonylpiperidin-4-ol
CID 81103611

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)sulfonyl-2,8-diazaspiro[4.5]decane?
The IUPAC name of 2-(4-methylphenyl)sulfonyl-2,8-diazaspiro[4.5]decane (CID 120718665) is 2-(4-methylphenyl)sulfonyl-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 2-(4-methylphenyl)sulfonyl-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 2-(4-methylphenyl)sulfonyl-2,8-diazaspiro[4.5]decane is Cc1ccc(S(=O)(=O)N2CCC3(CCNCC3)C2)cc1.
What is the InChIKey of 2-(4-methylphenyl)sulfonyl-2,8-diazaspiro[4.5]decane?
The InChIKey is FNFDHZAHXNNQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-13-2-4-14(5-3-13)20(18,19)17-11-8-15(12-17)6-9-16-10-7-15/h2-5,16H,6-12H2,1H3.
What are the key properties of 2-(4-methylphenyl)sulfonyl-2,8-diazaspiro[4.5]decane?
2-(4-methylphenyl)sulfonyl-2,8-diazaspiro[4.5]decane has a molecular weight of 294.42 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)sulfonyl-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 120718665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).