2-amino-N-[2-(diethylamino)ethyl]-3,6-dimethylbenzenesulfonamide

C14H25N3O2S — CID 103170957

IUPAC2-amino-N-[2-(diethylamino)ethyl]-3,6-dimethylbenzenesulfonamide
SMILESCCN(CC)CCNS(=O)(=O)c1c(C)ccc(C)c1N
InChIInChI=1S/C14H25N3O2S/c1-5-17(6-2)10-9-16-20(18,19)14-12(4)8-7-11(3)13(14)15/h7-8,16H,5-6,9-10,15H2,1-4H3
InChIKeyKBIDFMIRQDYEEX-UHFFFAOYSA-N
MW299.44 g/mol
LogP1.51
Rot. Bonds7

About 2-amino-N-[2-(diethylamino)ethyl]-3,6-dimethylbenzenesulfonamide

2-amino-N-[2-(diethylamino)ethyl]-3,6-dimethylbenzenesulfonamide (PubChem CID 103170957) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is 2-amino-N-[2-(diethylamino)ethyl]-3,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-[2-(diethylamino)ethyl]-3,6-dimethylbenzenesulfonamide
PubChem CID103170957
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC Name2-amino-N-[2-(diethylamino)ethyl]-3,6-dimethylbenzenesulfonamide
SMILESCCN(CC)CCNS(=O)(=O)c1c(C)ccc(C)c1N
InChIInChI=1S/C14H25N3O2S/c1-5-17(6-2)10-9-16-20(18,19)14-12(4)8-7-11(3)13(14)15/h7-8,16H,5-6,9-10,15H2,1-4H3
InChIKeyKBIDFMIRQDYEEX-UHFFFAOYSA-N
XLogP1.51
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 ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(diethylamino)ethyl]-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107326452
2-amino-N-(2-bromoprop-2-enyl)-3,6-dimethylbenzenesulfonamide
CID 103171769
3-[(2-amino-3,6-dimethylphenyl)sulfonylamino]-N-methylpropanamide
CID 103171406
2-amino-N-(4-methoxybutyl)-3,6-dimethylbenzenesulfonamide
CID 103171397
4-(4-aminophenyl)-N-[2-(diethylamino)ethyl]benzenesulfonamide
CID 110454407
2-amino-4,6-dichloro-N-[2-(diethylamino)ethyl]benzenesulfonamide
CID 43255854
3-amino-N-[2-(diethylamino)ethyl]-4-fluoro-5-methylbenzenesulfonamide
CID 115421066
4-bromo-2,6-dichloro-N-[2-(diethylamino)ethyl]benzenesulfonamide
CID 4967816
5-amino-N-[2-(diethylamino)ethyl]-2-methoxy-4-methylbenzenesulfonamide
CID 79961695
5-amino-N-[2-(diethylamino)ethyl]-2-ethylbenzenesulfonamide
CID 43255855
2-amino-3,6-dimethyl-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106327896
2-amino-N-[3-(2-hydroxyethoxy)propyl]-3,6-dimethylbenzenesulfonamide
CID 106308656

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(diethylamino)ethyl]-3,6-dimethylbenzenesulfonamide?
The IUPAC name of 2-amino-N-[2-(diethylamino)ethyl]-3,6-dimethylbenzenesulfonamide (CID 103170957) is 2-amino-N-[2-(diethylamino)ethyl]-3,6-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-amino-N-[2-(diethylamino)ethyl]-3,6-dimethylbenzenesulfonamide?
The canonical SMILES for 2-amino-N-[2-(diethylamino)ethyl]-3,6-dimethylbenzenesulfonamide is CCN(CC)CCNS(=O)(=O)c1c(C)ccc(C)c1N.
What is the InChIKey of 2-amino-N-[2-(diethylamino)ethyl]-3,6-dimethylbenzenesulfonamide?
The InChIKey is KBIDFMIRQDYEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-5-17(6-2)10-9-16-20(18,19)14-12(4)8-7-11(3)13(14)15/h7-8,16H,5-6,9-10,15H2,1-4H3.
What are the key properties of 2-amino-N-[2-(diethylamino)ethyl]-3,6-dimethylbenzenesulfonamide?
2-amino-N-[2-(diethylamino)ethyl]-3,6-dimethylbenzenesulfonamide has a molecular weight of 299.44 g/mol, XLogP of 1.51, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(diethylamino)ethyl]-3,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 103170957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).