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

C13H23N3O2S — CID 63693737

IUPAC3-amino-N-[2-(dimethylamino)ethyl]-N,2,6-trimethylbenzenesulfonamide
SMILESCc1ccc(N)c(C)c1S(=O)(=O)N(C)CCN(C)C
InChIInChI=1S/C13H23N3O2S/c1-10-6-7-12(14)11(2)13(10)19(17,18)16(5)9-8-15(3)4/h6-7H,8-9,14H2,1-5H3
InChIKeyWIEQNVPLDULYPS-UHFFFAOYSA-N
MW285.41 g/mol
LogP1.07
Rot. Bonds5

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

3-amino-N-[2-(dimethylamino)ethyl]-N,2,6-trimethylbenzenesulfonamide (PubChem CID 63693737) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is 3-amino-N-[2-(dimethylamino)ethyl]-N,2,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-[2-(dimethylamino)ethyl]-N,2,6-trimethylbenzenesulfonamide
PubChem CID63693737
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC Name3-amino-N-[2-(dimethylamino)ethyl]-N,2,6-trimethylbenzenesulfonamide
SMILESCc1ccc(N)c(C)c1S(=O)(=O)N(C)CCN(C)C
InChIInChI=1S/C13H23N3O2S/c1-10-6-7-12(14)11(2)13(10)19(17,18)16(5)9-8-15(3)4/h6-7H,8-9,14H2,1-5H3
InChIKeyWIEQNVPLDULYPS-UHFFFAOYSA-N
XLogP1.07
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 51.07
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

3-amino-N,2,6-trimethyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 79849889
3-amino-N,2,6-trimethyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 112656524
3-amino-N-(2-cyanoethyl)-N,2,6-trimethylbenzenesulfonamide
CID 43258516
3-amino-N,2,6-trimethyl-N-propan-2-ylbenzenesulfonamide
CID 43257149
2-amino-N-[3-(dimethylamino)propyl]-N,3,6-trimethylbenzenesulfonamide
CID 103171508
3-amino-N-(1H-imidazol-2-ylmethyl)-N,2,6-trimethylbenzenesulfonamide
CID 64511956
6-amino-N-butyl-N,2,3-trimethylbenzenesulfonamide
CID 43258017
3-amino-N-(1-methoxypropan-2-yl)-N,2,6-trimethylbenzenesulfonamide
CID 61114136
3-amino-N-(2-cyanoethyl)-N-ethyl-2,6-dimethylbenzenesulfonamide
CID 61138899
N-[2-(dimethylamino)ethyl]-4-hydrazinyl-N,2,6-trimethylbenzenesulfonamide
CID 107328017
2-amino-N-(3-hydroxypropyl)-N,6-dimethylbenzenesulfonamide
CID 114230029
2-amino-N-(5-hydroxypentyl)-N,3,6-trimethylbenzenesulfonamide
CID 107197606

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(dimethylamino)ethyl]-N,2,6-trimethylbenzenesulfonamide?
The IUPAC name of 3-amino-N-[2-(dimethylamino)ethyl]-N,2,6-trimethylbenzenesulfonamide (CID 63693737) is 3-amino-N-[2-(dimethylamino)ethyl]-N,2,6-trimethylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-[2-(dimethylamino)ethyl]-N,2,6-trimethylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-[2-(dimethylamino)ethyl]-N,2,6-trimethylbenzenesulfonamide is Cc1ccc(N)c(C)c1S(=O)(=O)N(C)CCN(C)C.
What is the InChIKey of 3-amino-N-[2-(dimethylamino)ethyl]-N,2,6-trimethylbenzenesulfonamide?
The InChIKey is WIEQNVPLDULYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-10-6-7-12(14)11(2)13(10)19(17,18)16(5)9-8-15(3)4/h6-7H,8-9,14H2,1-5H3.
What are the key properties of 3-amino-N-[2-(dimethylamino)ethyl]-N,2,6-trimethylbenzenesulfonamide?
3-amino-N-[2-(dimethylamino)ethyl]-N,2,6-trimethylbenzenesulfonamide has a molecular weight of 285.41 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(dimethylamino)ethyl]-N,2,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 63693737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).