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

C20H30N2O2S — CID 118740553

IUPAC1'-(cyclohexylmethyl)-1-methylsulfonylspiro[2,4-dihydroquinoline-3,3'-pyrrolidine]
SMILESCS(=O)(=O)N1CC2(CCN(CC3CCCCC3)C2)Cc2ccccc21
InChIInChI=1S/C20H30N2O2S/c1-25(23,24)22-16-20(13-18-9-5-6-10-19(18)22)11-12-21(15-20)14-17-7-3-2-4-8-17/h5-6,9-10,17H,2-4,7-8,11-16H2,1H3
InChIKeyWPJDKBUYOICVCU-UHFFFAOYSA-N
MW362.54 g/mol
LogP3.28
Rot. Bonds3

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

1'-(cyclohexylmethyl)-1-methylsulfonylspiro[2,4-dihydroquinoline-3,3'-pyrrolidine] (PubChem CID 118740553) has the molecular formula C20H30N2O2S and a molecular weight of 362.54 g/mol. Its IUPAC name is 1'-(cyclohexylmethyl)-1-methylsulfonylspiro[2,4-dihydroquinoline-3,3'-pyrrolidine].

Molecular Properties

Compound Name1'-(cyclohexylmethyl)-1-methylsulfonylspiro[2,4-dihydroquinoline-3,3'-pyrrolidine]
PubChem CID118740553
Molecular FormulaC20H30N2O2S
Molecular Weight362.54 g/mol
Exact Mass362.20
IUPAC Name1'-(cyclohexylmethyl)-1-methylsulfonylspiro[2,4-dihydroquinoline-3,3'-pyrrolidine]
SMILESCS(=O)(=O)N1CC2(CCN(CC3CCCCC3)C2)Cc2ccccc21
InChIInChI=1S/C20H30N2O2S/c1-25(23,24)22-16-20(13-18-9-5-6-10-19(18)22)11-12-21(15-20)14-17-7-3-2-4-8-17/h5-6,9-10,17H,2-4,7-8,11-16H2,1H3
InChIKeyWPJDKBUYOICVCU-UHFFFAOYSA-N
XLogP3.28
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.54
LogP ≤ 53.28
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-3,3'-pyrrolidine]?
The IUPAC name of 1'-(cyclohexylmethyl)-1-methylsulfonylspiro[2,4-dihydroquinoline-3,3'-pyrrolidine] (CID 118740553) is 1'-(cyclohexylmethyl)-1-methylsulfonylspiro[2,4-dihydroquinoline-3,3'-pyrrolidine].
What is the SMILES notation for 1'-(cyclohexylmethyl)-1-methylsulfonylspiro[2,4-dihydroquinoline-3,3'-pyrrolidine]?
The canonical SMILES for 1'-(cyclohexylmethyl)-1-methylsulfonylspiro[2,4-dihydroquinoline-3,3'-pyrrolidine] is CS(=O)(=O)N1CC2(CCN(CC3CCCCC3)C2)Cc2ccccc21.
What is the InChIKey of 1'-(cyclohexylmethyl)-1-methylsulfonylspiro[2,4-dihydroquinoline-3,3'-pyrrolidine]?
The InChIKey is WPJDKBUYOICVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2S/c1-25(23,24)22-16-20(13-18-9-5-6-10-19(18)22)11-12-21(15-20)14-17-7-3-2-4-8-17/h5-6,9-10,17H,2-4,7-8,11-16H2,1H3.
What are the key properties of 1'-(cyclohexylmethyl)-1-methylsulfonylspiro[2,4-dihydroquinoline-3,3'-pyrrolidine]?
1'-(cyclohexylmethyl)-1-methylsulfonylspiro[2,4-dihydroquinoline-3,3'-pyrrolidine] has a molecular weight of 362.54 g/mol, XLogP of 3.28, 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-3,3'-pyrrolidine] is sourced from PubChem (CID 118740553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).