(1R,5S)-6-cyclopropylsulfonyl-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonane

C19H26N2O2S — CID 164641720

IUPAC(1R,5S)-6-cyclopropylsulfonyl-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonane
SMILESO=S(=O)(C1CC1)N1C[C@@H]2CC[C@H]1CN(C1Cc3ccccc3C1)C2
InChIInChI=1S/C19H26N2O2S/c22-24(23,19-7-8-19)21-12-14-5-6-17(21)13-20(11-14)18-9-15-3-1-2-4-16(15)10-18/h1-4,14,17-19H,5-13H2/t14-,17+/m1/s1
InChIKeyBIRGQCINASOPTM-PBHICJAKSA-N
MW346.50 g/mol
LogP2.04
Rot. Bonds3

About (1R,5S)-6-cyclopropylsulfonyl-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonane

(1R,5S)-6-cyclopropylsulfonyl-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonane (PubChem CID 164641720) has the molecular formula C19H26N2O2S and a molecular weight of 346.50 g/mol. Its IUPAC name is (1R,5S)-6-cyclopropylsulfonyl-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonane.

Molecular Properties

Compound Name(1R,5S)-6-cyclopropylsulfonyl-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonane
PubChem CID164641720
Molecular FormulaC19H26N2O2S
Molecular Weight346.50 g/mol
Exact Mass346.17
IUPAC Name(1R,5S)-6-cyclopropylsulfonyl-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonane
SMILESO=S(=O)(C1CC1)N1C[C@@H]2CC[C@H]1CN(C1Cc3ccccc3C1)C2
InChIInChI=1S/C19H26N2O2S/c22-24(23,19-7-8-19)21-12-14-5-6-17(21)13-20(11-14)18-9-15-3-1-2-4-16(15)10-18/h1-4,14,17-19H,5-13H2/t14-,17+/m1/s1
InChIKeyBIRGQCINASOPTM-PBHICJAKSA-N
XLogP2.04
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S,5R)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2-methylsulfanylethanone
CID 70758751
[(1S,5R)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(1H-pyrrol-2-yl)methanone
CID 72928172
[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-[(1R,5S)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone
CID 133115439
[(1S,5R)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone
CID 72911122
5-[(1S,5R)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonane-6-carbonyl]-1H-pyrazin-2-one
CID 70711821
3-[(1R,5S)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-N-propan-2-ylpropanamide
CID 133120714
[(1S,5R)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(1H-indol-2-yl)methanone
CID 72865657
[(1S,5R)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
CID 70740192
[(1S,5R)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(1H-indazol-3-yl)methanone
CID 72843968
(3,5-difluoro-2-pyridinyl)-[(1R,5S)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone
CID 164636398
(2-amino-4-pyridinyl)-[(1S,5R)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone
CID 70788294
[(1S,5R)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(4-methylpyrimidin-5-yl)methanone
CID 70754308

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-6-cyclopropylsulfonyl-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonane?
The IUPAC name of (1R,5S)-6-cyclopropylsulfonyl-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonane (CID 164641720) is (1R,5S)-6-cyclopropylsulfonyl-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonane.
What is the SMILES notation for (1R,5S)-6-cyclopropylsulfonyl-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonane?
The canonical SMILES for (1R,5S)-6-cyclopropylsulfonyl-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonane is O=S(=O)(C1CC1)N1C[C@@H]2CC[C@H]1CN(C1Cc3ccccc3C1)C2.
What is the InChIKey of (1R,5S)-6-cyclopropylsulfonyl-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonane?
The InChIKey is BIRGQCINASOPTM-PBHICJAKSA-N. The full InChI is InChI=1S/C19H26N2O2S/c22-24(23,19-7-8-19)21-12-14-5-6-17(21)13-20(11-14)18-9-15-3-1-2-4-16(15)10-18/h1-4,14,17-19H,5-13H2/t14-,17+/m1/s1.
What are the key properties of (1R,5S)-6-cyclopropylsulfonyl-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonane?
(1R,5S)-6-cyclopropylsulfonyl-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonane has a molecular weight of 346.50 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-6-cyclopropylsulfonyl-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonane is sourced from PubChem (CID 164641720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).