5-cyano-2-methyl-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide

C13H19N3O2S — CID 115302942

IUPAC5-cyano-2-methyl-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide
SMILESCNCC(C)CNS(=O)(=O)c1cc(C#N)ccc1C
InChIInChI=1S/C13H19N3O2S/c1-10(8-15-3)9-16-19(17,18)13-6-12(7-14)5-4-11(13)2/h4-6,10,15-16H,8-9H2,1-3H3
InChIKeyDVNSBDXKRNUNRQ-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.00
Rot. Bonds6

About 5-cyano-2-methyl-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide

5-cyano-2-methyl-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide (PubChem CID 115302942) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is 5-cyano-2-methyl-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide.

Molecular Properties

Compound Name5-cyano-2-methyl-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide
PubChem CID115302942
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC Name5-cyano-2-methyl-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide
SMILESCNCC(C)CNS(=O)(=O)c1cc(C#N)ccc1C
InChIInChI=1S/C13H19N3O2S/c1-10(8-15-3)9-16-19(17,18)13-6-12(7-14)5-4-11(13)2/h4-6,10,15-16H,8-9H2,1-3H3
InChIKeyDVNSBDXKRNUNRQ-UHFFFAOYSA-N
XLogP1.00
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyano-N-(2-hydroxy-4,4-dimethylpentyl)-2-methylbenzenesulfonamide
CID 103835529
5-cyano-N-[(2S)-3-(dimethylamino)-2-hydroxypropyl]-2-methylbenzenesulfonamide
CID 97071040
5-cyano-N-(3,3-dimethylbutyl)-2-methylbenzenesulfonamide
CID 115628616
5-cyano-2-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]benzenesulfonamide
CID 106035216
N-(1-chloropropan-2-yl)-5-cyano-2-methylbenzenesulfonamide
CID 106442039
5-cyano-2-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 114616340
4,5-dimethoxy-2-methyl-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide
CID 115302766
5-cyano-N-ethoxy-2-methylbenzenesulfonamide
CID 64973950
N-(4-aminobutyl)-5-cyano-2-methylbenzenesulfonamide;hydrochloride
CID 120583646
1-(3-cyanophenyl)-N-[2-methyl-3-(methylamino)propyl]methanesulfonamide
CID 115302875
(2S)-4-[(5-cyano-2-methylphenyl)sulfonylamino]-2-hydroxybutanoic acid
CID 104934150
4-chloro-2-methyl-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide
CID 113282581

Frequently Asked Questions

What is the IUPAC name of 5-cyano-2-methyl-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide?
The IUPAC name of 5-cyano-2-methyl-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide (CID 115302942) is 5-cyano-2-methyl-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide.
What is the SMILES notation for 5-cyano-2-methyl-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide?
The canonical SMILES for 5-cyano-2-methyl-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide is CNCC(C)CNS(=O)(=O)c1cc(C#N)ccc1C.
What is the InChIKey of 5-cyano-2-methyl-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide?
The InChIKey is DVNSBDXKRNUNRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-10(8-15-3)9-16-19(17,18)13-6-12(7-14)5-4-11(13)2/h4-6,10,15-16H,8-9H2,1-3H3.
What are the key properties of 5-cyano-2-methyl-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide?
5-cyano-2-methyl-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide has a molecular weight of 281.38 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-2-methyl-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide is sourced from PubChem (CID 115302942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).