3-amino-2,5-diethyl-N-methyl-N-propylbenzenesulfonamide

C14H24N2O2S — CID 107405765

IUPAC3-amino-2,5-diethyl-N-methyl-N-propylbenzenesulfonamide
SMILESCCCN(C)S(=O)(=O)c1cc(CC)cc(N)c1CC
InChIInChI=1S/C14H24N2O2S/c1-5-8-16(4)19(17,18)14-10-11(6-2)9-13(15)12(14)7-3/h9-10H,5-8,15H2,1-4H3
InChIKeyPIUVYXSJJDLVCA-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.42
Rot. Bonds6

About 3-amino-2,5-diethyl-N-methyl-N-propylbenzenesulfonamide

3-amino-2,5-diethyl-N-methyl-N-propylbenzenesulfonamide (PubChem CID 107405765) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 3-amino-2,5-diethyl-N-methyl-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-2,5-diethyl-N-methyl-N-propylbenzenesulfonamide
PubChem CID107405765
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC Name3-amino-2,5-diethyl-N-methyl-N-propylbenzenesulfonamide
SMILESCCCN(C)S(=O)(=O)c1cc(CC)cc(N)c1CC
InChIInChI=1S/C14H24N2O2S/c1-5-8-16(4)19(17,18)14-10-11(6-2)9-13(15)12(14)7-3/h9-10H,5-8,15H2,1-4H3
InChIKeyPIUVYXSJJDLVCA-UHFFFAOYSA-N
XLogP2.42
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2,5-diethyl-N-methyl-N-pentan-2-ylbenzenesulfonamide
CID 107405806
3-amino-2,5-diethyl-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide
CID 107406071
3-amino-N,2,5-triethyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 107405917
2-(3-amino-2,5-diethylphenyl)sulfonylguanidine
CID 107407059
2-[(3-amino-2,5-diethylphenyl)sulfonylamino]-N,N-dimethylacetamide
CID 107405776
3-amino-2,5-diethyl-N-pyrimidin-2-ylbenzenesulfonamide
CID 107405715
3-amino-N-(3,3-dimethylbutyl)-2,5-diethylbenzenesulfonamide
CID 107407026
3-amino-2,5-diethyl-N-(1-methylcyclobutyl)benzenesulfonamide
CID 107406972
5-amino-3-fluoro-N,2-dimethyl-N-propylbenzenesulfonamide
CID 79896365
3-amino-2,5-diethyl-N-(thian-3-yl)benzenesulfonamide
CID 107407005
3-amino-2,5-diethyl-N-(3-hydroxy-2-methylbutan-2-yl)benzenesulfonamide
CID 107407022
3-amino-2,5-diethyl-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 107406919

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,5-diethyl-N-methyl-N-propylbenzenesulfonamide?
The IUPAC name of 3-amino-2,5-diethyl-N-methyl-N-propylbenzenesulfonamide (CID 107405765) is 3-amino-2,5-diethyl-N-methyl-N-propylbenzenesulfonamide.
What is the SMILES notation for 3-amino-2,5-diethyl-N-methyl-N-propylbenzenesulfonamide?
The canonical SMILES for 3-amino-2,5-diethyl-N-methyl-N-propylbenzenesulfonamide is CCCN(C)S(=O)(=O)c1cc(CC)cc(N)c1CC.
What is the InChIKey of 3-amino-2,5-diethyl-N-methyl-N-propylbenzenesulfonamide?
The InChIKey is PIUVYXSJJDLVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-5-8-16(4)19(17,18)14-10-11(6-2)9-13(15)12(14)7-3/h9-10H,5-8,15H2,1-4H3.
What are the key properties of 3-amino-2,5-diethyl-N-methyl-N-propylbenzenesulfonamide?
3-amino-2,5-diethyl-N-methyl-N-propylbenzenesulfonamide has a molecular weight of 284.43 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,5-diethyl-N-methyl-N-propylbenzenesulfonamide is sourced from PubChem (CID 107405765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).