4-[6-(2-ethylsulfonylethyl)-3H-inden-1-yl]-1-methylpiperidine

C19H27NO2S — CID 58567981

IUPAC4-[6-(2-ethylsulfonylethyl)-3H-inden-1-yl]-1-methylpiperidine
SMILESCCS(=O)(=O)CCc1ccc2c(c1)C(C1CCN(C)CC1)=CC2
InChIInChI=1S/C19H27NO2S/c1-3-23(21,22)13-10-15-4-5-16-6-7-18(19(16)14-15)17-8-11-20(2)12-9-17/h4-5,7,14,17H,3,6,8-13H2,1-2H3
InChIKeyKFSUWZCRCXZYQY-UHFFFAOYSA-N
MW333.50 g/mol
LogP2.95
Rot. Bonds5

About 4-[6-(2-ethylsulfonylethyl)-3H-inden-1-yl]-1-methylpiperidine

4-[6-(2-ethylsulfonylethyl)-3H-inden-1-yl]-1-methylpiperidine (PubChem CID 58567981) has the molecular formula C19H27NO2S and a molecular weight of 333.50 g/mol. Its IUPAC name is 4-[6-(2-ethylsulfonylethyl)-3H-inden-1-yl]-1-methylpiperidine.

Molecular Properties

Compound Name4-[6-(2-ethylsulfonylethyl)-3H-inden-1-yl]-1-methylpiperidine
PubChem CID58567981
Molecular FormulaC19H27NO2S
Molecular Weight333.50 g/mol
Exact Mass333.18
IUPAC Name4-[6-(2-ethylsulfonylethyl)-3H-inden-1-yl]-1-methylpiperidine
SMILESCCS(=O)(=O)CCc1ccc2c(c1)C(C1CCN(C)CC1)=CC2
InChIInChI=1S/C19H27NO2S/c1-3-23(21,22)13-10-15-4-5-16-6-7-18(19(16)14-15)17-8-11-20(2)12-9-17/h4-5,7,14,17H,3,6,8-13H2,1-2H3
InChIKeyKFSUWZCRCXZYQY-UHFFFAOYSA-N
XLogP2.95
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.50
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(2-ethylsulfonylethyl)-3H-inden-1-yl]-1-methylpiperidine?
The IUPAC name of 4-[6-(2-ethylsulfonylethyl)-3H-inden-1-yl]-1-methylpiperidine (CID 58567981) is 4-[6-(2-ethylsulfonylethyl)-3H-inden-1-yl]-1-methylpiperidine.
What is the SMILES notation for 4-[6-(2-ethylsulfonylethyl)-3H-inden-1-yl]-1-methylpiperidine?
The canonical SMILES for 4-[6-(2-ethylsulfonylethyl)-3H-inden-1-yl]-1-methylpiperidine is CCS(=O)(=O)CCc1ccc2c(c1)C(C1CCN(C)CC1)=CC2.
What is the InChIKey of 4-[6-(2-ethylsulfonylethyl)-3H-inden-1-yl]-1-methylpiperidine?
The InChIKey is KFSUWZCRCXZYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO2S/c1-3-23(21,22)13-10-15-4-5-16-6-7-18(19(16)14-15)17-8-11-20(2)12-9-17/h4-5,7,14,17H,3,6,8-13H2,1-2H3.
What are the key properties of 4-[6-(2-ethylsulfonylethyl)-3H-inden-1-yl]-1-methylpiperidine?
4-[6-(2-ethylsulfonylethyl)-3H-inden-1-yl]-1-methylpiperidine has a molecular weight of 333.50 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(2-ethylsulfonylethyl)-3H-inden-1-yl]-1-methylpiperidine is sourced from PubChem (CID 58567981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).