2-(2,3-dihydro-1H-inden-5-ylsulfonyl)-5-ethyl-2,5-diazabicyclo[2.2.2]octane

C17H24N2O2S — CID 58677837

IUPAC2-(2,3-dihydro-1H-inden-5-ylsulfonyl)-5-ethyl-2,5-diazabicyclo[2.2.2]octane
SMILESCCN1CC2CCC1CN2S(=O)(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C17H24N2O2S/c1-2-18-11-16-8-7-15(18)12-19(16)22(20,21)17-9-6-13-4-3-5-14(13)10-17/h6,9-10,15-16H,2-5,7-8,11-12H2,1H3
InChIKeyFRTCCBOMCSZYLJ-UHFFFAOYSA-N
MW320.46 g/mol
LogP2.03
Rot. Bonds3

About 2-(2,3-dihydro-1H-inden-5-ylsulfonyl)-5-ethyl-2,5-diazabicyclo[2.2.2]octane

2-(2,3-dihydro-1H-inden-5-ylsulfonyl)-5-ethyl-2,5-diazabicyclo[2.2.2]octane (PubChem CID 58677837) has the molecular formula C17H24N2O2S and a molecular weight of 320.46 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-ylsulfonyl)-5-ethyl-2,5-diazabicyclo[2.2.2]octane.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-ylsulfonyl)-5-ethyl-2,5-diazabicyclo[2.2.2]octane
PubChem CID58677837
Molecular FormulaC17H24N2O2S
Molecular Weight320.46 g/mol
Exact Mass320.16
IUPAC Name2-(2,3-dihydro-1H-inden-5-ylsulfonyl)-5-ethyl-2,5-diazabicyclo[2.2.2]octane
SMILESCCN1CC2CCC1CN2S(=O)(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C17H24N2O2S/c1-2-18-11-16-8-7-15(18)12-19(16)22(20,21)17-9-6-13-4-3-5-14(13)10-17/h6,9-10,15-16H,2-5,7-8,11-12H2,1H3
InChIKeyFRTCCBOMCSZYLJ-UHFFFAOYSA-N
XLogP2.03
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2,3-dihydro-1H-inden-5-ylsulfonyl)-5-ethyl-2,5-diazabicyclo[2.2.2]octane with MolForge

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Related Compounds

3-chloro-8-(2,3-dihydro-1H-inden-5-ylsulfonyl)-8-azabicyclo[3.2.1]octane
CID 63762795
[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-2-yl]methanol
CID 43574426
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79370777
1-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-2-yl]ethanone
CID 63846556
(2R)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidine-2-carboxylate
CID 6969895
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidine-2-carboxylic acid
CID 647028
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-methylpyrrolidin-3-amine
CID 115300298
[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-2-yl]methanol
CID 43574439
3-(chloromethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidine
CID 63400425
9-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3,9-diazabicyclo[4.2.1]nonane
CID 120719704
1-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-2-yl]ethanamine
CID 63255080
2-(methoxymethyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidine
CID 110869990

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylsulfonyl)-5-ethyl-2,5-diazabicyclo[2.2.2]octane?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylsulfonyl)-5-ethyl-2,5-diazabicyclo[2.2.2]octane (CID 58677837) is 2-(2,3-dihydro-1H-inden-5-ylsulfonyl)-5-ethyl-2,5-diazabicyclo[2.2.2]octane.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-ylsulfonyl)-5-ethyl-2,5-diazabicyclo[2.2.2]octane?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-ylsulfonyl)-5-ethyl-2,5-diazabicyclo[2.2.2]octane is CCN1CC2CCC1CN2S(=O)(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-ylsulfonyl)-5-ethyl-2,5-diazabicyclo[2.2.2]octane?
The InChIKey is FRTCCBOMCSZYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2S/c1-2-18-11-16-8-7-15(18)12-19(16)22(20,21)17-9-6-13-4-3-5-14(13)10-17/h6,9-10,15-16H,2-5,7-8,11-12H2,1H3.
What are the key properties of 2-(2,3-dihydro-1H-inden-5-ylsulfonyl)-5-ethyl-2,5-diazabicyclo[2.2.2]octane?
2-(2,3-dihydro-1H-inden-5-ylsulfonyl)-5-ethyl-2,5-diazabicyclo[2.2.2]octane has a molecular weight of 320.46 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-ylsulfonyl)-5-ethyl-2,5-diazabicyclo[2.2.2]octane is sourced from PubChem (CID 58677837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).