9-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3,9-diazabicyclo[4.2.1]nonane

C16H22N2O2S — CID 120719704

IUPAC9-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3,9-diazabicyclo[4.2.1]nonane
SMILESO=S(=O)(c1ccc2c(c1)CCC2)N1C2CCNCC1CC2
InChIInChI=1S/C16H22N2O2S/c19-21(20,16-7-4-12-2-1-3-13(12)10-16)18-14-5-6-15(18)11-17-9-8-14/h4,7,10,14-15,17H,1-3,5-6,8-9,11H2
InChIKeyFBTBRTWVXFLTMD-UHFFFAOYSA-N
MW306.43 g/mol
LogP1.69
Rot. Bonds2

About 9-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3,9-diazabicyclo[4.2.1]nonane

9-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3,9-diazabicyclo[4.2.1]nonane (PubChem CID 120719704) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is 9-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3,9-diazabicyclo[4.2.1]nonane.

Molecular Properties

Compound Name9-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3,9-diazabicyclo[4.2.1]nonane
PubChem CID120719704
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name9-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3,9-diazabicyclo[4.2.1]nonane
SMILESO=S(=O)(c1ccc2c(c1)CCC2)N1C2CCNCC1CC2
InChIInChI=1S/C16H22N2O2S/c19-21(20,16-7-4-12-2-1-3-13(12)10-16)18-14-5-6-15(18)11-17-9-8-14/h4,7,10,14-15,17H,1-3,5-6,8-9,11H2
InChIKeyFBTBRTWVXFLTMD-UHFFFAOYSA-N
XLogP1.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-(3,9-diazabicyclo[4.2.1]nonan-9-ylsulfonyl)-3,4-dihydro-2H-isoquinolin-1-one
CID 120719053
9-(3,4-dimethylphenyl)sulfonyl-3,9-diazabicyclo[4.2.1]nonane
CID 120719391
9-(4-fluorophenyl)sulfonyl-3,9-diazabicyclo[4.2.1]nonane
CID 120719189
3-chloro-8-(2,3-dihydro-1H-inden-5-ylsulfonyl)-8-azabicyclo[3.2.1]octane
CID 63762795
9-(4-methylsulfonylphenyl)sulfonyl-3,9-diazabicyclo[4.2.1]nonane
CID 120719614
9-(6-bromonaphthalen-2-yl)sulfonyl-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 120719567
9-(4-phenylphenyl)sulfonyl-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 120719324
9-(3-propan-2-ylphenyl)sulfonyl-3,9-diazabicyclo[4.2.1]nonane
CID 120719778
[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone
CID 119687808
9-(3-chloro-4-methylsulfanylphenyl)sulfonyl-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 120719441
N-piperidin-3-yl-2,3-dihydro-1H-indene-5-sulfonamide
CID 43120037
9-(3,5-dichloro-4-methylphenyl)sulfonyl-3,9-diazabicyclo[4.2.1]nonane
CID 120719225

Frequently Asked Questions

What is the IUPAC name of 9-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3,9-diazabicyclo[4.2.1]nonane?
The IUPAC name of 9-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3,9-diazabicyclo[4.2.1]nonane (CID 120719704) is 9-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3,9-diazabicyclo[4.2.1]nonane.
What is the SMILES notation for 9-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3,9-diazabicyclo[4.2.1]nonane?
The canonical SMILES for 9-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3,9-diazabicyclo[4.2.1]nonane is O=S(=O)(c1ccc2c(c1)CCC2)N1C2CCNCC1CC2.
What is the InChIKey of 9-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3,9-diazabicyclo[4.2.1]nonane?
The InChIKey is FBTBRTWVXFLTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c19-21(20,16-7-4-12-2-1-3-13(12)10-16)18-14-5-6-15(18)11-17-9-8-14/h4,7,10,14-15,17H,1-3,5-6,8-9,11H2.
What are the key properties of 9-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3,9-diazabicyclo[4.2.1]nonane?
9-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3,9-diazabicyclo[4.2.1]nonane has a molecular weight of 306.43 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3,9-diazabicyclo[4.2.1]nonane is sourced from PubChem (CID 120719704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).