N-methyl-4-[[2-methyl-3-(methylamino)propyl]amino]benzenesulfonamide

C12H21N3O2S — CID 113282613

IUPACN-methyl-4-[[2-methyl-3-(methylamino)propyl]amino]benzenesulfonamide
SMILESCNCC(C)CNc1ccc(S(=O)(=O)NC)cc1
InChIInChI=1S/C12H21N3O2S/c1-10(8-13-2)9-15-11-4-6-12(7-5-11)18(16,17)14-3/h4-7,10,13-15H,8-9H2,1-3H3
InChIKeyIZBPMEWGDWNMOP-UHFFFAOYSA-N
MW271.39 g/mol
LogP0.86
Rot. Bonds7

About N-methyl-4-[[2-methyl-3-(methylamino)propyl]amino]benzenesulfonamide

N-methyl-4-[[2-methyl-3-(methylamino)propyl]amino]benzenesulfonamide (PubChem CID 113282613) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is N-methyl-4-[[2-methyl-3-(methylamino)propyl]amino]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-4-[[2-methyl-3-(methylamino)propyl]amino]benzenesulfonamide
PubChem CID113282613
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC NameN-methyl-4-[[2-methyl-3-(methylamino)propyl]amino]benzenesulfonamide
SMILESCNCC(C)CNc1ccc(S(=O)(=O)NC)cc1
InChIInChI=1S/C12H21N3O2S/c1-10(8-13-2)9-15-11-4-6-12(7-5-11)18(16,17)14-3/h4-7,10,13-15H,8-9H2,1-3H3
InChIKeyIZBPMEWGDWNMOP-UHFFFAOYSA-N
XLogP0.86
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-4-(2-methylpropylamino)benzenesulfonamide
CID 43453809
N-methyl-4-(2,3,3-trimethylbutylamino)benzenesulfonamide
CID 83144551
N-methyl-2-[[2-methyl-3-(methylamino)propyl]amino]benzenesulfonamide
CID 113282668
2-methyl-3-(methylamino)-N-[4-(methylsulfamoyl)phenyl]propanamide
CID 79196433
N-ethyl-4-(2-methylbutylamino)benzenesulfonamide
CID 43744675
N-[4-[[2-methyl-3-(methylamino)propyl]sulfamoyl]phenyl]acetamide
CID 115302862
N-methyl-4-(2-propan-2-yloxyethylamino)benzenesulfonamide
CID 104762386
N-methyl-4-(methylamino)benzenesulfonamide
CID 15049669
N-methyl-4-(2,2,2-trifluoroethylamino)benzenesulfonamide
CID 43453835
4-(3-hydroxypropylamino)-N-methylbenzenesulfonamide
CID 43453851
3-methoxy-4-[4-(methylsulfamoyl)anilino]butanoic acid
CID 103153862
4-methyl-N-[4-(2-methylpropylamino)phenyl]benzenesulfonamide
CID 112980396

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[2-methyl-3-(methylamino)propyl]amino]benzenesulfonamide?
The IUPAC name of N-methyl-4-[[2-methyl-3-(methylamino)propyl]amino]benzenesulfonamide (CID 113282613) is N-methyl-4-[[2-methyl-3-(methylamino)propyl]amino]benzenesulfonamide.
What is the SMILES notation for N-methyl-4-[[2-methyl-3-(methylamino)propyl]amino]benzenesulfonamide?
The canonical SMILES for N-methyl-4-[[2-methyl-3-(methylamino)propyl]amino]benzenesulfonamide is CNCC(C)CNc1ccc(S(=O)(=O)NC)cc1.
What is the InChIKey of N-methyl-4-[[2-methyl-3-(methylamino)propyl]amino]benzenesulfonamide?
The InChIKey is IZBPMEWGDWNMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-10(8-13-2)9-15-11-4-6-12(7-5-11)18(16,17)14-3/h4-7,10,13-15H,8-9H2,1-3H3.
What are the key properties of N-methyl-4-[[2-methyl-3-(methylamino)propyl]amino]benzenesulfonamide?
N-methyl-4-[[2-methyl-3-(methylamino)propyl]amino]benzenesulfonamide has a molecular weight of 271.39 g/mol, XLogP of 0.86, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[2-methyl-3-(methylamino)propyl]amino]benzenesulfonamide is sourced from PubChem (CID 113282613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).