(2R)-3-benzylimino-N,N-dimethylspiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-piperidine]-1'-sulfonamide

C20H26N6O2S — CID 136872896

IUPAC(2R)-3-benzylimino-N,N-dimethylspiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-piperidine]-1'-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC[C@]2(C1)Nc1cccnc1N/C2=N\Cc1ccccc1
InChIInChI=1S/C20H26N6O2S/c1-25(2)29(27,28)26-13-7-11-20(15-26)19(22-14-16-8-4-3-5-9-16)23-18-17(24-20)10-6-12-21-18/h3-6,8-10,12,24H,7,11,13-15H2,1-2H3,(H,21,22,23)/t20-/m1/s1
InChIKeyKLCYAHCQINXWHW-HXUWFJFHSA-N
MW414.54 g/mol
LogP2.16
Rot. Bonds4

About (2R)-3-benzylimino-N,N-dimethylspiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-piperidine]-1'-sulfonamide

(2R)-3-benzylimino-N,N-dimethylspiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-piperidine]-1'-sulfonamide (PubChem CID 136872896) has the molecular formula C20H26N6O2S and a molecular weight of 414.54 g/mol. Its IUPAC name is (2R)-3-benzylimino-N,N-dimethylspiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-piperidine]-1'-sulfonamide.

Molecular Properties

Compound Name(2R)-3-benzylimino-N,N-dimethylspiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-piperidine]-1'-sulfonamide
PubChem CID136872896
Molecular FormulaC20H26N6O2S
Molecular Weight414.54 g/mol
Exact Mass414.18
IUPAC Name(2R)-3-benzylimino-N,N-dimethylspiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-piperidine]-1'-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC[C@]2(C1)Nc1cccnc1N/C2=N\Cc1ccccc1
InChIInChI=1S/C20H26N6O2S/c1-25(2)29(27,28)26-13-7-11-20(15-26)19(22-14-16-8-4-3-5-9-16)23-18-17(24-20)10-6-12-21-18/h3-6,8-10,12,24H,7,11,13-15H2,1-2H3,(H,21,22,23)/t20-/m1/s1
InChIKeyKLCYAHCQINXWHW-HXUWFJFHSA-N
XLogP2.16
TPSA89.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.54
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (2R)-3-benzylimino-N,N-dimethylspiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-piperidine]-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

Related Compounds

2-benzylimino-N,N-dimethylspiro[4,5-dihydro-1H-1,4-benzodiazepine-3,3'-pyrrolidine]-1'-sulfonamide
CID 136666876
(2S)-1-(3-benzyliminospiro[1,4-dihydropyrido[2,3-b]pyrazine-2,4'-piperidine]-1'-yl)-2-methylbutan-1-one
CID 136730643
[(2S)-3-benzyliminospiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-pyrrolidine]-1'-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 136730715
N-benzylspiro[5,8-dihydropteridine-6,1'-cyclohexane]-7-imine;ethane
CID 145079533
[(2R)-3-cyclopentyliminospiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-piperidine]-1'-yl]-phenylmethanone
CID 136730678
N-[2-(3-benzyliminospiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-yl)-2-oxoethyl]acetamide
CID 136666777
1-(3-tert-butyliminospiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-piperidine]-1'-yl)ethanone
CID 136666842
1-(3-cyclopentyliminospiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-piperidine]-1'-yl)-2-(2-methoxyphenyl)ethanone
CID 156601945
(3R)-N,N-dimethyl-2-oxospiro[1H-indole-3,3'-piperidine]-1'-sulfonamide
CID 95707296
N-benzylspiro[1,4-dihydropyrido[3,4-b]pyrazine-2,1'-cyclohexane]-3-imine;ethane
CID 145079170
N,N-dimethyl-1-(pyridin-3-ylmethyl)spiro[2H-pyrrolo[3,2-b]pyridine-3,3'-pyrrolidine]-1'-sulfonamide
CID 131669740
N-benzyl-6,7-difluorospiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-imine
CID 137105195

Frequently Asked Questions

What is the IUPAC name of (2R)-3-benzylimino-N,N-dimethylspiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-piperidine]-1'-sulfonamide?
The IUPAC name of (2R)-3-benzylimino-N,N-dimethylspiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-piperidine]-1'-sulfonamide (CID 136872896) is (2R)-3-benzylimino-N,N-dimethylspiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-piperidine]-1'-sulfonamide.
What is the SMILES notation for (2R)-3-benzylimino-N,N-dimethylspiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-piperidine]-1'-sulfonamide?
The canonical SMILES for (2R)-3-benzylimino-N,N-dimethylspiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-piperidine]-1'-sulfonamide is CN(C)S(=O)(=O)N1CCC[C@]2(C1)Nc1cccnc1N/C2=N\Cc1ccccc1.
What is the InChIKey of (2R)-3-benzylimino-N,N-dimethylspiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-piperidine]-1'-sulfonamide?
The InChIKey is KLCYAHCQINXWHW-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H26N6O2S/c1-25(2)29(27,28)26-13-7-11-20(15-26)19(22-14-16-8-4-3-5-9-16)23-18-17(24-20)10-6-12-21-18/h3-6,8-10,12,24H,7,11,13-15H2,1-2H3,(H,21,22,23)/t20-/m1/s1.
What are the key properties of (2R)-3-benzylimino-N,N-dimethylspiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-piperidine]-1'-sulfonamide?
(2R)-3-benzylimino-N,N-dimethylspiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-piperidine]-1'-sulfonamide has a molecular weight of 414.54 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-benzylimino-N,N-dimethylspiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-piperidine]-1'-sulfonamide is sourced from PubChem (CID 136872896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).