5-amino-2-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]benzenesulfonamide

C14H25N3O2S — CID 106034479

IUPAC5-amino-2-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]benzenesulfonamide
SMILESCc1ccc(N)cc1S(=O)(=O)NCCCN(C)C(C)C
InChIInChI=1S/C14H25N3O2S/c1-11(2)17(4)9-5-8-16-20(18,19)14-10-13(15)7-6-12(14)3/h6-7,10-11,16H,5,8-9,15H2,1-4H3
InChIKeyUZTKIFOHSPXTBQ-UHFFFAOYSA-N
MW299.44 g/mol
LogP1.59
Rot. Bonds7

About 5-amino-2-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]benzenesulfonamide

5-amino-2-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]benzenesulfonamide (PubChem CID 106034479) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is 5-amino-2-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]benzenesulfonamide
PubChem CID106034479
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC Name5-amino-2-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]benzenesulfonamide
SMILESCc1ccc(N)cc1S(=O)(=O)NCCCN(C)C(C)C
InChIInChI=1S/C14H25N3O2S/c1-11(2)17(4)9-5-8-16-20(18,19)14-10-13(15)7-6-12(14)3/h6-7,10-11,16H,5,8-9,15H2,1-4H3
InChIKeyUZTKIFOHSPXTBQ-UHFFFAOYSA-N
XLogP1.59
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-cyano-2-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]benzenesulfonamide
CID 106035216
5-amino-N-(6-hydroxyhexyl)-2-methylbenzenesulfonamide
CID 107843500
5-amino-2-methoxy-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide
CID 62635958
4-[(5-amino-2-methylphenyl)sulfonylamino]butanamide
CID 60864084
5-amino-2-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 54936764
3-amino-4-chloro-5-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]benzenesulfonamide
CID 106034417
5-amino-2-methyl-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide
CID 78984276
3-amino-4-ethyl-N-[3-[methyl(propan-2-yl)amino]propyl]benzenesulfonamide
CID 106034450
5-amino-N-(2-ethoxy-2-methylpropyl)-2-methylbenzenesulfonamide
CID 114940395
5-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methylbenzenesulfonamide
CID 29041934
3-amino-4-bromo-N-[3-[methyl(propan-2-yl)amino]propyl]benzenesulfonamide
CID 106034348
5-bromo-N-[3-(dimethylamino)propyl]-2-methylbenzenesulfonamide
CID 8513346

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]benzenesulfonamide?
The IUPAC name of 5-amino-2-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]benzenesulfonamide (CID 106034479) is 5-amino-2-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]benzenesulfonamide.
What is the SMILES notation for 5-amino-2-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]benzenesulfonamide?
The canonical SMILES for 5-amino-2-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]benzenesulfonamide is Cc1ccc(N)cc1S(=O)(=O)NCCCN(C)C(C)C.
What is the InChIKey of 5-amino-2-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]benzenesulfonamide?
The InChIKey is UZTKIFOHSPXTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-11(2)17(4)9-5-8-16-20(18,19)14-10-13(15)7-6-12(14)3/h6-7,10-11,16H,5,8-9,15H2,1-4H3.
What are the key properties of 5-amino-2-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]benzenesulfonamide?
5-amino-2-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]benzenesulfonamide has a molecular weight of 299.44 g/mol, XLogP of 1.59, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]benzenesulfonamide is sourced from PubChem (CID 106034479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).