1'-cyclohexyl-1-methylsulfonylspiro[2,4-dihydroquinoline-3,3'-pyrrolidine]

C19H28N2O2S — CID 118740547

IUPAC1'-cyclohexyl-1-methylsulfonylspiro[2,4-dihydroquinoline-3,3'-pyrrolidine]
SMILESCS(=O)(=O)N1CC2(CCN(C3CCCCC3)C2)Cc2ccccc21
InChIInChI=1S/C19H28N2O2S/c1-24(22,23)21-15-19(13-16-7-5-6-10-18(16)21)11-12-20(14-19)17-8-3-2-4-9-17/h5-7,10,17H,2-4,8-9,11-15H2,1H3
InChIKeyAEKYBEGFMNJSMX-UHFFFAOYSA-N
MW348.51 g/mol
LogP3.03
Rot. Bonds2

About 1'-cyclohexyl-1-methylsulfonylspiro[2,4-dihydroquinoline-3,3'-pyrrolidine]

1'-cyclohexyl-1-methylsulfonylspiro[2,4-dihydroquinoline-3,3'-pyrrolidine] (PubChem CID 118740547) has the molecular formula C19H28N2O2S and a molecular weight of 348.51 g/mol. Its IUPAC name is 1'-cyclohexyl-1-methylsulfonylspiro[2,4-dihydroquinoline-3,3'-pyrrolidine].

Molecular Properties

Compound Name1'-cyclohexyl-1-methylsulfonylspiro[2,4-dihydroquinoline-3,3'-pyrrolidine]
PubChem CID118740547
Molecular FormulaC19H28N2O2S
Molecular Weight348.51 g/mol
Exact Mass348.19
IUPAC Name1'-cyclohexyl-1-methylsulfonylspiro[2,4-dihydroquinoline-3,3'-pyrrolidine]
SMILESCS(=O)(=O)N1CC2(CCN(C3CCCCC3)C2)Cc2ccccc21
InChIInChI=1S/C19H28N2O2S/c1-24(22,23)21-15-19(13-16-7-5-6-10-18(16)21)11-12-20(14-19)17-8-3-2-4-9-17/h5-7,10,17H,2-4,8-9,11-15H2,1H3
InChIKeyAEKYBEGFMNJSMX-UHFFFAOYSA-N
XLogP3.03
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.51
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-cyclohexyl-1-methylsulfonylspiro[2,4-dihydroquinoline-3,3'-pyrrolidine]?
The IUPAC name of 1'-cyclohexyl-1-methylsulfonylspiro[2,4-dihydroquinoline-3,3'-pyrrolidine] (CID 118740547) is 1'-cyclohexyl-1-methylsulfonylspiro[2,4-dihydroquinoline-3,3'-pyrrolidine].
What is the SMILES notation for 1'-cyclohexyl-1-methylsulfonylspiro[2,4-dihydroquinoline-3,3'-pyrrolidine]?
The canonical SMILES for 1'-cyclohexyl-1-methylsulfonylspiro[2,4-dihydroquinoline-3,3'-pyrrolidine] is CS(=O)(=O)N1CC2(CCN(C3CCCCC3)C2)Cc2ccccc21.
What is the InChIKey of 1'-cyclohexyl-1-methylsulfonylspiro[2,4-dihydroquinoline-3,3'-pyrrolidine]?
The InChIKey is AEKYBEGFMNJSMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2S/c1-24(22,23)21-15-19(13-16-7-5-6-10-18(16)21)11-12-20(14-19)17-8-3-2-4-9-17/h5-7,10,17H,2-4,8-9,11-15H2,1H3.
What are the key properties of 1'-cyclohexyl-1-methylsulfonylspiro[2,4-dihydroquinoline-3,3'-pyrrolidine]?
1'-cyclohexyl-1-methylsulfonylspiro[2,4-dihydroquinoline-3,3'-pyrrolidine] has a molecular weight of 348.51 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-cyclohexyl-1-methylsulfonylspiro[2,4-dihydroquinoline-3,3'-pyrrolidine] is sourced from PubChem (CID 118740547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).