8-methyl-2-(4-methylsulfonylphenyl)-2-azaspiro[4.4]nonane

C16H23NO2S — CID 133452884

IUPAC8-methyl-2-(4-methylsulfonylphenyl)-2-azaspiro[4.4]nonane
SMILESCC1CCC2(CCN(c3ccc(S(C)(=O)=O)cc3)C2)C1
InChIInChI=1S/C16H23NO2S/c1-13-7-8-16(11-13)9-10-17(12-16)14-3-5-15(6-4-14)20(2,18)19/h3-6,13H,7-12H2,1-2H3
InChIKeyCRUUTSVCWDFHKP-UHFFFAOYSA-N
MW293.43 g/mol
LogP3.11
Rot. Bonds2

About 8-methyl-2-(4-methylsulfonylphenyl)-2-azaspiro[4.4]nonane

8-methyl-2-(4-methylsulfonylphenyl)-2-azaspiro[4.4]nonane (PubChem CID 133452884) has the molecular formula C16H23NO2S and a molecular weight of 293.43 g/mol. Its IUPAC name is 8-methyl-2-(4-methylsulfonylphenyl)-2-azaspiro[4.4]nonane.

Molecular Properties

Compound Name8-methyl-2-(4-methylsulfonylphenyl)-2-azaspiro[4.4]nonane
PubChem CID133452884
Molecular FormulaC16H23NO2S
Molecular Weight293.43 g/mol
Exact Mass293.14
IUPAC Name8-methyl-2-(4-methylsulfonylphenyl)-2-azaspiro[4.4]nonane
SMILESCC1CCC2(CCN(c3ccc(S(C)(=O)=O)cc3)C2)C1
InChIInChI=1S/C16H23NO2S/c1-13-7-8-16(11-13)9-10-17(12-16)14-3-5-15(6-4-14)20(2,18)19/h3-6,13H,7-12H2,1-2H3
InChIKeyCRUUTSVCWDFHKP-UHFFFAOYSA-N
XLogP3.11
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethylsulfonylphenyl)-2-azaspiro[4.5]decane
CID 141308714
N-methyl-1-(4-methylsulfonylphenyl)piperidin-3-amine
CID 62546364
8-cyclopropylsulfonyl-2-(4-propan-2-yloxyphenyl)-2,8-diazaspiro[4.5]decane
CID 123500008
3-methyl-8-[2-(trifluoromethyl)-4-pyridinyl]-8-azaspiro[4.5]decane
CID 91080290
[1-(4-methylsulfonylphenyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone
CID 166604975
(1R,6S,7S)-3-(4-methylsulfonylphenyl)-3-azabicyclo[4.1.0]heptane-7-carboxylic acid
CID 166254242
[1-(4-methylsulfonylphenyl)piperidin-4-yl] acetate
CID 133451665
1-(4-methylsulfonylphenyl)-4-pyrrolidin-1-ylazepane
CID 136529901
4-(4-methylsulfonylphenyl)piperazine-1-carbaldehyde
CID 142680659
N-[1-(4-methylsulfonylphenyl)piperidin-3-yl]methanesulfonamide
CID 163354197
1-(3,4-dimethylphenyl)-4-(4-methylsulfonylphenyl)piperazine
CID 133451865
4-(4-methylsulfonylphenyl)piperazine-1-carboxylic acid
CID 141113101

Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-(4-methylsulfonylphenyl)-2-azaspiro[4.4]nonane?
The IUPAC name of 8-methyl-2-(4-methylsulfonylphenyl)-2-azaspiro[4.4]nonane (CID 133452884) is 8-methyl-2-(4-methylsulfonylphenyl)-2-azaspiro[4.4]nonane.
What is the SMILES notation for 8-methyl-2-(4-methylsulfonylphenyl)-2-azaspiro[4.4]nonane?
The canonical SMILES for 8-methyl-2-(4-methylsulfonylphenyl)-2-azaspiro[4.4]nonane is CC1CCC2(CCN(c3ccc(S(C)(=O)=O)cc3)C2)C1.
What is the InChIKey of 8-methyl-2-(4-methylsulfonylphenyl)-2-azaspiro[4.4]nonane?
The InChIKey is CRUUTSVCWDFHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2S/c1-13-7-8-16(11-13)9-10-17(12-16)14-3-5-15(6-4-14)20(2,18)19/h3-6,13H,7-12H2,1-2H3.
What are the key properties of 8-methyl-2-(4-methylsulfonylphenyl)-2-azaspiro[4.4]nonane?
8-methyl-2-(4-methylsulfonylphenyl)-2-azaspiro[4.4]nonane has a molecular weight of 293.43 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-(4-methylsulfonylphenyl)-2-azaspiro[4.4]nonane is sourced from PubChem (CID 133452884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).