5,5-dimethyl-1-(4-methylphenyl)sulfonyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinoline

C22H27NO2S — CID 57155076

IUPAC5,5-dimethyl-1-(4-methylphenyl)sulfonyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinoline
SMILESCc1ccc(S(=O)(=O)N2CCCC3C2Cc2ccccc2C3(C)C)cc1
InChIInChI=1S/C22H27NO2S/c1-16-10-12-18(13-11-16)26(24,25)23-14-6-9-20-21(23)15-17-7-4-5-8-19(17)22(20,2)3/h4-5,7-8,10-13,20-21H,6,9,14-15H2,1-3H3
InChIKeyULCQMJKAQPXBGL-UHFFFAOYSA-N
MW369.53 g/mol
LogP4.30
Rot. Bonds2

About 5,5-dimethyl-1-(4-methylphenyl)sulfonyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinoline

5,5-dimethyl-1-(4-methylphenyl)sulfonyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinoline (PubChem CID 57155076) has the molecular formula C22H27NO2S and a molecular weight of 369.53 g/mol. Its IUPAC name is 5,5-dimethyl-1-(4-methylphenyl)sulfonyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinoline.

Molecular Properties

Compound Name5,5-dimethyl-1-(4-methylphenyl)sulfonyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinoline
PubChem CID57155076
Molecular FormulaC22H27NO2S
Molecular Weight369.53 g/mol
Exact Mass369.18
IUPAC Name5,5-dimethyl-1-(4-methylphenyl)sulfonyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinoline
SMILESCc1ccc(S(=O)(=O)N2CCCC3C2Cc2ccccc2C3(C)C)cc1
InChIInChI=1S/C22H27NO2S/c1-16-10-12-18(13-11-16)26(24,25)23-14-6-9-20-21(23)15-17-7-4-5-8-19(17)22(20,2)3/h4-5,7-8,10-13,20-21H,6,9,14-15H2,1-3H3
InChIKeyULCQMJKAQPXBGL-UHFFFAOYSA-N
XLogP4.30
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.53
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5,5-dimethyl-1-(4-methylphenyl)sulfonyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinoline with MolForge

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Related Compounds

2-cyclohexyl-1-(4-methylphenyl)sulfonylpyrrolidine
CID 151276711
ethane;(2S)-2-methyl-1-(4-methylphenyl)sulfonylpyrrolidine
CID 156877690
(2R)-2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine
CID 51856371
(2R)-2-(2-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine
CID 51856499
4-butoxy-17-(4-methylphenyl)sulfonyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene
CID 70898247
2,5-bis-(4-methylphenyl)sulfonyl-2,5-diazabicyclo[4.1.0]heptane
CID 13108226
(7aR,11aR)-1,4,7-tris-(4-methylphenyl)sulfonyl-2,3,5,6,7a,8,9,10,11,11a-decahydrobenzo[b][1,4,7]triazonine
CID 101249934
(2R)-2-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine
CID 124500770
(2S)-1-(4-methylphenyl)sulfonyl-2-phenylazetidine
CID 16731480
(7aR,11aR)-1,7-bis-(4-methylphenyl)sulfonyl-2,3,5,6,7a,8,9,10,11,11a-decahydrobenzo[e][1,4,7]oxadiazonine
CID 101249935
(2S)-2-(furan-2-yl)-1-(4-methylphenyl)sulfonylpyrrolidine
CID 51550818
ethane;(2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 143806899

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-1-(4-methylphenyl)sulfonyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinoline?
The IUPAC name of 5,5-dimethyl-1-(4-methylphenyl)sulfonyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinoline (CID 57155076) is 5,5-dimethyl-1-(4-methylphenyl)sulfonyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinoline.
What is the SMILES notation for 5,5-dimethyl-1-(4-methylphenyl)sulfonyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinoline?
The canonical SMILES for 5,5-dimethyl-1-(4-methylphenyl)sulfonyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinoline is Cc1ccc(S(=O)(=O)N2CCCC3C2Cc2ccccc2C3(C)C)cc1.
What is the InChIKey of 5,5-dimethyl-1-(4-methylphenyl)sulfonyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinoline?
The InChIKey is ULCQMJKAQPXBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO2S/c1-16-10-12-18(13-11-16)26(24,25)23-14-6-9-20-21(23)15-17-7-4-5-8-19(17)22(20,2)3/h4-5,7-8,10-13,20-21H,6,9,14-15H2,1-3H3.
What are the key properties of 5,5-dimethyl-1-(4-methylphenyl)sulfonyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinoline?
5,5-dimethyl-1-(4-methylphenyl)sulfonyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinoline has a molecular weight of 369.53 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-1-(4-methylphenyl)sulfonyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinoline is sourced from PubChem (CID 57155076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).