N-[[4-[(8-methoxy-1,7-naphthyridin-4-yl)amino]phenyl]sulfonimidoyl]-N',N'-dimethylethane-1,2-diamine

C19H24N6O2S — CID 170414696

IUPACN-[[4-[(8-methoxy-1,7-naphthyridin-4-yl)amino]phenyl]sulfonimidoyl]-N',N'-dimethylethane-1,2-diamine
SMILES[H]N=S(=O)(NCCN(C)C)c1ccc(Nc2ccnc3c(OC)nccc23)cc1
InChIInChI=1S/C19H24N6O2S/c1-25(2)13-12-23-28(20,26)15-6-4-14(5-7-15)24-17-9-11-21-18-16(17)8-10-22-19(18)27-3/h4-11H,12-13H2,1-3H3,(H,21,24)(H2,20,23,26)
InChIKeyATRGOAJHJPTORF-UHFFFAOYSA-N
MW400.51 g/mol
LogP2.85
Rot. Bonds8

About N-[[4-[(8-methoxy-1,7-naphthyridin-4-yl)amino]phenyl]sulfonimidoyl]-N',N'-dimethylethane-1,2-diamine

N-[[4-[(8-methoxy-1,7-naphthyridin-4-yl)amino]phenyl]sulfonimidoyl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 170414696) has the molecular formula C19H24N6O2S and a molecular weight of 400.51 g/mol. Its IUPAC name is N-[[4-[(8-methoxy-1,7-naphthyridin-4-yl)amino]phenyl]sulfonimidoyl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[[4-[(8-methoxy-1,7-naphthyridin-4-yl)amino]phenyl]sulfonimidoyl]-N',N'-dimethylethane-1,2-diamine
PubChem CID170414696
Molecular FormulaC19H24N6O2S
Molecular Weight400.51 g/mol
Exact Mass400.17
IUPAC NameN-[[4-[(8-methoxy-1,7-naphthyridin-4-yl)amino]phenyl]sulfonimidoyl]-N',N'-dimethylethane-1,2-diamine
SMILES[H]N=S(=O)(NCCN(C)C)c1ccc(Nc2ccnc3c(OC)nccc23)cc1
InChIInChI=1S/C19H24N6O2S/c1-25(2)13-12-23-28(20,26)15-6-4-14(5-7-15)24-17-9-11-21-18-16(17)8-10-22-19(18)27-3/h4-11H,12-13H2,1-3H3,(H,21,24)(H2,20,23,26)
InChIKeyATRGOAJHJPTORF-UHFFFAOYSA-N
XLogP2.85
TPSA103.23 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.51
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[(cyclopropylamino)sulfonimidoyl]phenyl]-8-methoxy-1,7-naphthyridin-4-amine
CID 170414698
N',N'-dimethylethane-1,2-diamine;methanethiol;8-methoxy-N-phenyl-1,7-naphthyridin-4-amine
CID 170592789
N-(2-hydroxypropyl)-4-[(8-methoxy-1,7-naphthyridin-4-yl)amino]benzenesulfinamide
CID 170592709
N-[2-(dimethylamino)ethyl]-4-(4-methoxyanilino)-3-nitrobenzenesulfonamide
CID 9187436
[3-fluoro-5-[(8-methoxy-1,7-naphthyridin-4-yl)oxymethyl]phenyl]-imino-methyl-oxo-λ6-sulfane
CID 177053029
N-[2-(dimethylamino)ethyl]-4-(4-methylanilino)-3-nitrobenzenesulfonamide
CID 9187411
N-[2-(dimethylamino)ethyl]-4-pyridin-4-ylbenzenesulfonamide
CID 110454140
tert-butyl-imino-[3-[2-(8-methoxy-1,7-naphthyridin-4-yl)ethyl]phenyl]-oxo-λ6-sulfane
CID 177300459
8-chloro-N-(4-methoxyphenyl)quinolin-4-amine
CID 43833259
N-(3-methoxy-4-methylphenyl)-6-methylsulfonylquinolin-4-amine
CID 67465104
4-[(6-bromoquinazolin-2-yl)amino]-N-[2-(dimethylamino)ethyl]benzenesulfonamide
CID 24986332
1-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinolin-6-yl]-3-[2-(dimethylamino)ethylamino]urea
CID 175042827

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(8-methoxy-1,7-naphthyridin-4-yl)amino]phenyl]sulfonimidoyl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[[4-[(8-methoxy-1,7-naphthyridin-4-yl)amino]phenyl]sulfonimidoyl]-N',N'-dimethylethane-1,2-diamine (CID 170414696) is N-[[4-[(8-methoxy-1,7-naphthyridin-4-yl)amino]phenyl]sulfonimidoyl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[[4-[(8-methoxy-1,7-naphthyridin-4-yl)amino]phenyl]sulfonimidoyl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[[4-[(8-methoxy-1,7-naphthyridin-4-yl)amino]phenyl]sulfonimidoyl]-N',N'-dimethylethane-1,2-diamine is [H]N=S(=O)(NCCN(C)C)c1ccc(Nc2ccnc3c(OC)nccc23)cc1.
What is the InChIKey of N-[[4-[(8-methoxy-1,7-naphthyridin-4-yl)amino]phenyl]sulfonimidoyl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is ATRGOAJHJPTORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2S/c1-25(2)13-12-23-28(20,26)15-6-4-14(5-7-15)24-17-9-11-21-18-16(17)8-10-22-19(18)27-3/h4-11H,12-13H2,1-3H3,(H,21,24)(H2,20,23,26).
What are the key properties of N-[[4-[(8-methoxy-1,7-naphthyridin-4-yl)amino]phenyl]sulfonimidoyl]-N',N'-dimethylethane-1,2-diamine?
N-[[4-[(8-methoxy-1,7-naphthyridin-4-yl)amino]phenyl]sulfonimidoyl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 400.51 g/mol, XLogP of 2.85, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(8-methoxy-1,7-naphthyridin-4-yl)amino]phenyl]sulfonimidoyl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 170414696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).