N-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-N,2-dimethylpropane-1-sulfonamide

C18H28N2O2S — CID 14107006

IUPACN-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-N,2-dimethylpropane-1-sulfonamide
SMILESCC(C)CS(=O)(=O)N(C)[C@@H]1CCN2CCc3ccccc3[C@@H]2C1
InChIInChI=1S/C18H28N2O2S/c1-14(2)13-23(21,22)19(3)16-9-11-20-10-8-15-6-4-5-7-17(15)18(20)12-16/h4-7,14,16,18H,8-13H2,1-3H3/t16-,18+/m1/s1
InChIKeyASJBFSIEEDXKAI-AEFFLSMTSA-N
MW336.50 g/mol
LogP2.67
Rot. Bonds4

About N-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-N,2-dimethylpropane-1-sulfonamide

N-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-N,2-dimethylpropane-1-sulfonamide (PubChem CID 14107006) has the molecular formula C18H28N2O2S and a molecular weight of 336.50 g/mol. Its IUPAC name is N-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-N,2-dimethylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-N,2-dimethylpropane-1-sulfonamide
PubChem CID14107006
Molecular FormulaC18H28N2O2S
Molecular Weight336.50 g/mol
Exact Mass336.19
IUPAC NameN-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-N,2-dimethylpropane-1-sulfonamide
SMILESCC(C)CS(=O)(=O)N(C)[C@@H]1CCN2CCc3ccccc3[C@@H]2C1
InChIInChI=1S/C18H28N2O2S/c1-14(2)13-23(21,22)19(3)16-9-11-20-10-8-15-6-4-5-7-17(15)18(20)12-16/h4-7,14,16,18H,8-13H2,1-3H3/t16-,18+/m1/s1
InChIKeyASJBFSIEEDXKAI-AEFFLSMTSA-N
XLogP2.67
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.50
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-N,2-dimethylpropane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-N,2-dimethylpropane-1-sulfonamide?
The IUPAC name of N-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-N,2-dimethylpropane-1-sulfonamide (CID 14107006) is N-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-N,2-dimethylpropane-1-sulfonamide.
What is the SMILES notation for N-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-N,2-dimethylpropane-1-sulfonamide?
The canonical SMILES for N-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-N,2-dimethylpropane-1-sulfonamide is CC(C)CS(=O)(=O)N(C)[C@@H]1CCN2CCc3ccccc3[C@@H]2C1.
What is the InChIKey of N-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-N,2-dimethylpropane-1-sulfonamide?
The InChIKey is ASJBFSIEEDXKAI-AEFFLSMTSA-N. The full InChI is InChI=1S/C18H28N2O2S/c1-14(2)13-23(21,22)19(3)16-9-11-20-10-8-15-6-4-5-7-17(15)18(20)12-16/h4-7,14,16,18H,8-13H2,1-3H3/t16-,18+/m1/s1.
What are the key properties of N-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-N,2-dimethylpropane-1-sulfonamide?
N-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-N,2-dimethylpropane-1-sulfonamide has a molecular weight of 336.50 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-N,2-dimethylpropane-1-sulfonamide is sourced from PubChem (CID 14107006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).