2-amino-N-[3-(dimethylamino)propyl]-N,3,6-trimethylbenzenesulfonamide

C14H25N3O2S — CID 103171508

IUPAC2-amino-N-[3-(dimethylamino)propyl]-N,3,6-trimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)N(C)CCCN(C)C)c1N
InChIInChI=1S/C14H25N3O2S/c1-11-7-8-12(2)14(13(11)15)20(18,19)17(5)10-6-9-16(3)4/h7-8H,6,9-10,15H2,1-5H3
InChIKeyBFPQZSLBJGWKJE-UHFFFAOYSA-N
MW299.44 g/mol
LogP1.46
Rot. Bonds6

About 2-amino-N-[3-(dimethylamino)propyl]-N,3,6-trimethylbenzenesulfonamide

2-amino-N-[3-(dimethylamino)propyl]-N,3,6-trimethylbenzenesulfonamide (PubChem CID 103171508) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is 2-amino-N-[3-(dimethylamino)propyl]-N,3,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-[3-(dimethylamino)propyl]-N,3,6-trimethylbenzenesulfonamide
PubChem CID103171508
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC Name2-amino-N-[3-(dimethylamino)propyl]-N,3,6-trimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)N(C)CCCN(C)C)c1N
InChIInChI=1S/C14H25N3O2S/c1-11-7-8-12(2)14(13(11)15)20(18,19)17(5)10-6-9-16(3)4/h7-8H,6,9-10,15H2,1-5H3
InChIKeyBFPQZSLBJGWKJE-UHFFFAOYSA-N
XLogP1.46
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Amino-3-methylbenzenesulfonamide
CID 12528492
2-amino-N,6-dimethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 60892306
2-amino-6-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 61105334
2-amino-N-butyl-6-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 61106056
2-amino-6-methyl-N-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 61106245
2-amino-N,6-dimethyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide
CID 65533609
3-amino-2,5-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 79884583
3-amino-N,2,5-trimethyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide
CID 79889503
2-amino-N-(3-fluorophenyl)-3,6-dimethylbenzenesulfonamide
CID 103170974
2-amino-N-(4-fluorophenyl)-3,6-dimethylbenzenesulfonamide
CID 103170982
2-amino-N-[(4-fluorophenyl)methyl]-3,6-dimethylbenzenesulfonamide
CID 103170985
2-amino-N-(2-fluorophenyl)-3,6-dimethylbenzenesulfonamide
CID 103170987

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(dimethylamino)propyl]-N,3,6-trimethylbenzenesulfonamide?
The IUPAC name of 2-amino-N-[3-(dimethylamino)propyl]-N,3,6-trimethylbenzenesulfonamide (CID 103171508) is 2-amino-N-[3-(dimethylamino)propyl]-N,3,6-trimethylbenzenesulfonamide.
What is the SMILES notation for 2-amino-N-[3-(dimethylamino)propyl]-N,3,6-trimethylbenzenesulfonamide?
The canonical SMILES for 2-amino-N-[3-(dimethylamino)propyl]-N,3,6-trimethylbenzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)N(C)CCCN(C)C)c1N.
What is the InChIKey of 2-amino-N-[3-(dimethylamino)propyl]-N,3,6-trimethylbenzenesulfonamide?
The InChIKey is BFPQZSLBJGWKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-11-7-8-12(2)14(13(11)15)20(18,19)17(5)10-6-9-16(3)4/h7-8H,6,9-10,15H2,1-5H3.
What are the key properties of 2-amino-N-[3-(dimethylamino)propyl]-N,3,6-trimethylbenzenesulfonamide?
2-amino-N-[3-(dimethylamino)propyl]-N,3,6-trimethylbenzenesulfonamide has a molecular weight of 299.44 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(dimethylamino)propyl]-N,3,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 103171508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).