(2R,11bS)-N-(dimethylsulfamoyl)-N-methyl-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-amine

C16H25N3O2S — CID 13217508

IUPAC(2R,11bS)-N-(dimethylsulfamoyl)-N-methyl-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-amine
SMILESCN(C)S(=O)(=O)N(C)[C@@H]1CCN2CCc3ccccc3[C@@H]2C1
InChIInChI=1S/C16H25N3O2S/c1-17(2)22(20,21)18(3)14-9-11-19-10-8-13-6-4-5-7-15(13)16(19)12-14/h4-7,14,16H,8-12H2,1-3H3/t14-,16+/m1/s1
InChIKeyCJQWRRFBKUKRFN-ZBFHGGJFSA-N
MW323.46 g/mol
LogP1.49
Rot. Bonds3

About (2R,11bS)-N-(dimethylsulfamoyl)-N-methyl-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-amine

(2R,11bS)-N-(dimethylsulfamoyl)-N-methyl-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-amine (PubChem CID 13217508) has the molecular formula C16H25N3O2S and a molecular weight of 323.46 g/mol. Its IUPAC name is (2R,11bS)-N-(dimethylsulfamoyl)-N-methyl-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-amine.

Molecular Properties

Compound Name(2R,11bS)-N-(dimethylsulfamoyl)-N-methyl-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-amine
PubChem CID13217508
Molecular FormulaC16H25N3O2S
Molecular Weight323.46 g/mol
Exact Mass323.17
IUPAC Name(2R,11bS)-N-(dimethylsulfamoyl)-N-methyl-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-amine
SMILESCN(C)S(=O)(=O)N(C)[C@@H]1CCN2CCc3ccccc3[C@@H]2C1
InChIInChI=1S/C16H25N3O2S/c1-17(2)22(20,21)18(3)14-9-11-19-10-8-13-6-4-5-7-15(13)16(19)12-14/h4-7,14,16H,8-12H2,1-3H3/t14-,16+/m1/s1
InChIKeyCJQWRRFBKUKRFN-ZBFHGGJFSA-N
XLogP1.49
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,11bS)-N-(dimethylsulfamoyl)-N-methyl-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-amine?
The IUPAC name of (2R,11bS)-N-(dimethylsulfamoyl)-N-methyl-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-amine (CID 13217508) is (2R,11bS)-N-(dimethylsulfamoyl)-N-methyl-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-amine.
What is the SMILES notation for (2R,11bS)-N-(dimethylsulfamoyl)-N-methyl-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-amine?
The canonical SMILES for (2R,11bS)-N-(dimethylsulfamoyl)-N-methyl-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-amine is CN(C)S(=O)(=O)N(C)[C@@H]1CCN2CCc3ccccc3[C@@H]2C1.
What is the InChIKey of (2R,11bS)-N-(dimethylsulfamoyl)-N-methyl-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-amine?
The InChIKey is CJQWRRFBKUKRFN-ZBFHGGJFSA-N. The full InChI is InChI=1S/C16H25N3O2S/c1-17(2)22(20,21)18(3)14-9-11-19-10-8-13-6-4-5-7-15(13)16(19)12-14/h4-7,14,16H,8-12H2,1-3H3/t14-,16+/m1/s1.
What are the key properties of (2R,11bS)-N-(dimethylsulfamoyl)-N-methyl-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-amine?
(2R,11bS)-N-(dimethylsulfamoyl)-N-methyl-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-amine has a molecular weight of 323.46 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,11bS)-N-(dimethylsulfamoyl)-N-methyl-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-amine is sourced from PubChem (CID 13217508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).