4-methyl-2-(4-methylphenyl)sulfonyl-2-azaspiro[4.4]nonane

C16H23NO2S — CID 15398609

IUPAC4-methyl-2-(4-methylphenyl)sulfonyl-2-azaspiro[4.4]nonane
SMILESCc1ccc(S(=O)(=O)N2CC(C)C3(CCCC3)C2)cc1
InChIInChI=1S/C16H23NO2S/c1-13-5-7-15(8-6-13)20(18,19)17-11-14(2)16(12-17)9-3-4-10-16/h5-8,14H,3-4,9-12H2,1-2H3
InChIKeyFLCJVNWUQLZPID-UHFFFAOYSA-N
MW293.43 g/mol
LogP3.20
Rot. Bonds2

About 4-methyl-2-(4-methylphenyl)sulfonyl-2-azaspiro[4.4]nonane

4-methyl-2-(4-methylphenyl)sulfonyl-2-azaspiro[4.4]nonane (PubChem CID 15398609) has the molecular formula C16H23NO2S and a molecular weight of 293.43 g/mol. Its IUPAC name is 4-methyl-2-(4-methylphenyl)sulfonyl-2-azaspiro[4.4]nonane.

Molecular Properties

Compound Name4-methyl-2-(4-methylphenyl)sulfonyl-2-azaspiro[4.4]nonane
PubChem CID15398609
Molecular FormulaC16H23NO2S
Molecular Weight293.43 g/mol
Exact Mass293.14
IUPAC Name4-methyl-2-(4-methylphenyl)sulfonyl-2-azaspiro[4.4]nonane
SMILESCc1ccc(S(=O)(=O)N2CC(C)C3(CCCC3)C2)cc1
InChIInChI=1S/C16H23NO2S/c1-13-5-7-15(8-6-13)20(18,19)17-11-14(2)16(12-17)9-3-4-10-16/h5-8,14H,3-4,9-12H2,1-2H3
InChIKeyFLCJVNWUQLZPID-UHFFFAOYSA-N
XLogP3.20
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-methyl-2-(4-methylphenyl)sulfonyl-2-azaspiro[4.4]nonane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S,5R)-4-methyl-2-(4-methylphenyl)sulfonyl-2-azaspiro[4.5]dec-6-ene
CID 11738296
2,6-bis-(4-methylphenyl)sulfonyl-2,6-diazaspiro[3.3]heptane
CID 44829122
3,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidine
CID 3769436
(3aR,5aS,9aR)-2-(4-methylphenyl)sulfonyl-3,3a,4,5a,6,7,8,9-octahydro-1H-indeno[3,3a-c]pyrrol-5-one
CID 57341204
(3S)-3-methyl-1-(4-methylphenyl)sulfonylpiperidine
CID 668967
5,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidin-3-ol
CID 52950936
4-bromo-6-(4-methylphenyl)sulfonyl-1-oxa-6-azaspiro[2.4]heptane
CID 123942341
(3R,3aR,7aR)-3,3a-dimethyl-1-(4-methylphenyl)sulfonyl-3,4,5,6,7,7a-hexahydro-2H-indole
CID 10063837
(5S)-4-methylidene-7-(4-methylphenyl)sulfonyl-7-azaspiro[4.6]undecane
CID 102431755
1-(4-methylphenyl)sulfonyl-azacycloundecane
CID 12715310
(4S,5R)-5-amino-3,3-dimethyl-1-(4-methylphenyl)sulfonylpiperidin-4-ol
CID 98106436
1-methyl-3-(4-methylphenyl)sulfonyl-3-azabicyclo[3.1.1]heptan-6-one
CID 21310580

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(4-methylphenyl)sulfonyl-2-azaspiro[4.4]nonane?
The IUPAC name of 4-methyl-2-(4-methylphenyl)sulfonyl-2-azaspiro[4.4]nonane (CID 15398609) is 4-methyl-2-(4-methylphenyl)sulfonyl-2-azaspiro[4.4]nonane.
What is the SMILES notation for 4-methyl-2-(4-methylphenyl)sulfonyl-2-azaspiro[4.4]nonane?
The canonical SMILES for 4-methyl-2-(4-methylphenyl)sulfonyl-2-azaspiro[4.4]nonane is Cc1ccc(S(=O)(=O)N2CC(C)C3(CCCC3)C2)cc1.
What is the InChIKey of 4-methyl-2-(4-methylphenyl)sulfonyl-2-azaspiro[4.4]nonane?
The InChIKey is FLCJVNWUQLZPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2S/c1-13-5-7-15(8-6-13)20(18,19)17-11-14(2)16(12-17)9-3-4-10-16/h5-8,14H,3-4,9-12H2,1-2H3.
What are the key properties of 4-methyl-2-(4-methylphenyl)sulfonyl-2-azaspiro[4.4]nonane?
4-methyl-2-(4-methylphenyl)sulfonyl-2-azaspiro[4.4]nonane has a molecular weight of 293.43 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(4-methylphenyl)sulfonyl-2-azaspiro[4.4]nonane is sourced from PubChem (CID 15398609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).