1'-ethylsulfonyl-1-pyrrolidin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]

C20H30N2O2S — CID 118742623

IUPAC1'-ethylsulfonyl-1-pyrrolidin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]
SMILESCCS(=O)(=O)N1CCC2(CCC(N3CCCC3)c3ccccc32)CC1
InChIInChI=1S/C20H30N2O2S/c1-2-25(23,24)22-15-11-20(12-16-22)10-9-19(21-13-5-6-14-21)17-7-3-4-8-18(17)20/h3-4,7-8,19H,2,5-6,9-16H2,1H3
InChIKeyFJWSDEPMIFJJEK-UHFFFAOYSA-N
MW362.54 g/mol
LogP3.30
Rot. Bonds3

About 1'-ethylsulfonyl-1-pyrrolidin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]

1'-ethylsulfonyl-1-pyrrolidin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine] (PubChem CID 118742623) has the molecular formula C20H30N2O2S and a molecular weight of 362.54 g/mol. Its IUPAC name is 1'-ethylsulfonyl-1-pyrrolidin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine].

Molecular Properties

Compound Name1'-ethylsulfonyl-1-pyrrolidin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]
PubChem CID118742623
Molecular FormulaC20H30N2O2S
Molecular Weight362.54 g/mol
Exact Mass362.20
IUPAC Name1'-ethylsulfonyl-1-pyrrolidin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]
SMILESCCS(=O)(=O)N1CCC2(CCC(N3CCCC3)c3ccccc32)CC1
InChIInChI=1S/C20H30N2O2S/c1-2-25(23,24)22-15-11-20(12-16-22)10-9-19(21-13-5-6-14-21)17-7-3-4-8-18(17)20/h3-4,7-8,19H,2,5-6,9-16H2,1H3
InChIKeyFJWSDEPMIFJJEK-UHFFFAOYSA-N
XLogP3.30
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 ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1'-ethylsulfonyl-1-pyrrolidin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1'-ethylsulfonyl-1-pyrrolidin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]?
The IUPAC name of 1'-ethylsulfonyl-1-pyrrolidin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine] (CID 118742623) is 1'-ethylsulfonyl-1-pyrrolidin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine].
What is the SMILES notation for 1'-ethylsulfonyl-1-pyrrolidin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]?
The canonical SMILES for 1'-ethylsulfonyl-1-pyrrolidin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine] is CCS(=O)(=O)N1CCC2(CCC(N3CCCC3)c3ccccc32)CC1.
What is the InChIKey of 1'-ethylsulfonyl-1-pyrrolidin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]?
The InChIKey is FJWSDEPMIFJJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2S/c1-2-25(23,24)22-15-11-20(12-16-22)10-9-19(21-13-5-6-14-21)17-7-3-4-8-18(17)20/h3-4,7-8,19H,2,5-6,9-16H2,1H3.
What are the key properties of 1'-ethylsulfonyl-1-pyrrolidin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]?
1'-ethylsulfonyl-1-pyrrolidin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine] has a molecular weight of 362.54 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-ethylsulfonyl-1-pyrrolidin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine] is sourced from PubChem (CID 118742623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).