1'-(cyclohexylmethyl)-1-methylsulfonylspiro[2,4-dihydroquinoline-3,4'-piperidine]

C21H32N2O2S — CID 118740552

IUPAC1'-(cyclohexylmethyl)-1-methylsulfonylspiro[2,4-dihydroquinoline-3,4'-piperidine]
SMILESCS(=O)(=O)N1CC2(CCN(CC3CCCCC3)CC2)Cc2ccccc21
InChIInChI=1S/C21H32N2O2S/c1-26(24,25)23-17-21(15-19-9-5-6-10-20(19)23)11-13-22(14-12-21)16-18-7-3-2-4-8-18/h5-6,9-10,18H,2-4,7-8,11-17H2,1H3
InChIKeyWMEGZNAGENBWGK-UHFFFAOYSA-N
MW376.57 g/mol
LogP3.67
Rot. Bonds3

About 1'-(cyclohexylmethyl)-1-methylsulfonylspiro[2,4-dihydroquinoline-3,4'-piperidine]

1'-(cyclohexylmethyl)-1-methylsulfonylspiro[2,4-dihydroquinoline-3,4'-piperidine] (PubChem CID 118740552) has the molecular formula C21H32N2O2S and a molecular weight of 376.57 g/mol. Its IUPAC name is 1'-(cyclohexylmethyl)-1-methylsulfonylspiro[2,4-dihydroquinoline-3,4'-piperidine].

Molecular Properties

Compound Name1'-(cyclohexylmethyl)-1-methylsulfonylspiro[2,4-dihydroquinoline-3,4'-piperidine]
PubChem CID118740552
Molecular FormulaC21H32N2O2S
Molecular Weight376.57 g/mol
Exact Mass376.22
IUPAC Name1'-(cyclohexylmethyl)-1-methylsulfonylspiro[2,4-dihydroquinoline-3,4'-piperidine]
SMILESCS(=O)(=O)N1CC2(CCN(CC3CCCCC3)CC2)Cc2ccccc21
InChIInChI=1S/C21H32N2O2S/c1-26(24,25)23-17-21(15-19-9-5-6-10-20(19)23)11-13-22(14-12-21)16-18-7-3-2-4-8-18/h5-6,9-10,18H,2-4,7-8,11-17H2,1H3
InChIKeyWMEGZNAGENBWGK-UHFFFAOYSA-N
XLogP3.67
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.57
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-(cyclohexylmethyl)-1-methylsulfonylspiro[2,4-dihydroquinoline-3,4'-piperidine]?
The IUPAC name of 1'-(cyclohexylmethyl)-1-methylsulfonylspiro[2,4-dihydroquinoline-3,4'-piperidine] (CID 118740552) is 1'-(cyclohexylmethyl)-1-methylsulfonylspiro[2,4-dihydroquinoline-3,4'-piperidine].
What is the SMILES notation for 1'-(cyclohexylmethyl)-1-methylsulfonylspiro[2,4-dihydroquinoline-3,4'-piperidine]?
The canonical SMILES for 1'-(cyclohexylmethyl)-1-methylsulfonylspiro[2,4-dihydroquinoline-3,4'-piperidine] is CS(=O)(=O)N1CC2(CCN(CC3CCCCC3)CC2)Cc2ccccc21.
What is the InChIKey of 1'-(cyclohexylmethyl)-1-methylsulfonylspiro[2,4-dihydroquinoline-3,4'-piperidine]?
The InChIKey is WMEGZNAGENBWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O2S/c1-26(24,25)23-17-21(15-19-9-5-6-10-20(19)23)11-13-22(14-12-21)16-18-7-3-2-4-8-18/h5-6,9-10,18H,2-4,7-8,11-17H2,1H3.
What are the key properties of 1'-(cyclohexylmethyl)-1-methylsulfonylspiro[2,4-dihydroquinoline-3,4'-piperidine]?
1'-(cyclohexylmethyl)-1-methylsulfonylspiro[2,4-dihydroquinoline-3,4'-piperidine] has a molecular weight of 376.57 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(cyclohexylmethyl)-1-methylsulfonylspiro[2,4-dihydroquinoline-3,4'-piperidine] is sourced from PubChem (CID 118740552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).