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

C20H30N2O2S — CID 118740550

IUPAC1'-cyclohexyl-1-methylsulfonylspiro[2,4-dihydroquinoline-3,4'-piperidine]
SMILESCS(=O)(=O)N1CC2(CCN(C3CCCCC3)CC2)Cc2ccccc21
InChIInChI=1S/C20H30N2O2S/c1-25(23,24)22-16-20(15-17-7-5-6-10-19(17)22)11-13-21(14-12-20)18-8-3-2-4-9-18/h5-7,10,18H,2-4,8-9,11-16H2,1H3
InChIKeyBBPHTLSLESJBJR-UHFFFAOYSA-N
MW362.54 g/mol
LogP3.42
Rot. Bonds2

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

1'-cyclohexyl-1-methylsulfonylspiro[2,4-dihydroquinoline-3,4'-piperidine] (PubChem CID 118740550) has the molecular formula C20H30N2O2S and a molecular weight of 362.54 g/mol. Its IUPAC name is 1'-cyclohexyl-1-methylsulfonylspiro[2,4-dihydroquinoline-3,4'-piperidine].

Molecular Properties

Compound Name1'-cyclohexyl-1-methylsulfonylspiro[2,4-dihydroquinoline-3,4'-piperidine]
PubChem CID118740550
Molecular FormulaC20H30N2O2S
Molecular Weight362.54 g/mol
Exact Mass362.20
IUPAC Name1'-cyclohexyl-1-methylsulfonylspiro[2,4-dihydroquinoline-3,4'-piperidine]
SMILESCS(=O)(=O)N1CC2(CCN(C3CCCCC3)CC2)Cc2ccccc21
InChIInChI=1S/C20H30N2O2S/c1-25(23,24)22-16-20(15-17-7-5-6-10-19(17)22)11-13-21(14-12-20)18-8-3-2-4-9-18/h5-7,10,18H,2-4,8-9,11-16H2,1H3
InChIKeyBBPHTLSLESJBJR-UHFFFAOYSA-N
XLogP3.42
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.54
LogP ≤ 53.42
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-3,4'-piperidine]?
The IUPAC name of 1'-cyclohexyl-1-methylsulfonylspiro[2,4-dihydroquinoline-3,4'-piperidine] (CID 118740550) is 1'-cyclohexyl-1-methylsulfonylspiro[2,4-dihydroquinoline-3,4'-piperidine].
What is the SMILES notation for 1'-cyclohexyl-1-methylsulfonylspiro[2,4-dihydroquinoline-3,4'-piperidine]?
The canonical SMILES for 1'-cyclohexyl-1-methylsulfonylspiro[2,4-dihydroquinoline-3,4'-piperidine] is CS(=O)(=O)N1CC2(CCN(C3CCCCC3)CC2)Cc2ccccc21.
What is the InChIKey of 1'-cyclohexyl-1-methylsulfonylspiro[2,4-dihydroquinoline-3,4'-piperidine]?
The InChIKey is BBPHTLSLESJBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2S/c1-25(23,24)22-16-20(15-17-7-5-6-10-19(17)22)11-13-21(14-12-20)18-8-3-2-4-9-18/h5-7,10,18H,2-4,8-9,11-16H2,1H3.
What are the key properties of 1'-cyclohexyl-1-methylsulfonylspiro[2,4-dihydroquinoline-3,4'-piperidine]?
1'-cyclohexyl-1-methylsulfonylspiro[2,4-dihydroquinoline-3,4'-piperidine] has a molecular weight of 362.54 g/mol, XLogP of 3.42, 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-3,4'-piperidine] is sourced from PubChem (CID 118740550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).