3-amino-N-(2,6-diethylphenyl)propane-1-sulfonamide

C13H22N2O2S — CID 54944840

IUPAC3-amino-N-(2,6-diethylphenyl)propane-1-sulfonamide
SMILESCCc1cccc(CC)c1NS(=O)(=O)CCCN
InChIInChI=1S/C13H22N2O2S/c1-3-11-7-5-8-12(4-2)13(11)15-18(16,17)10-6-9-14/h5,7-8,15H,3-4,6,9-10,14H2,1-2H3
InChIKeyOBSDNHITQHDPOC-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.90
Rot. Bonds7

About 3-amino-N-(2,6-diethylphenyl)propane-1-sulfonamide

3-amino-N-(2,6-diethylphenyl)propane-1-sulfonamide (PubChem CID 54944840) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 3-amino-N-(2,6-diethylphenyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-amino-N-(2,6-diethylphenyl)propane-1-sulfonamide
PubChem CID54944840
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Name3-amino-N-(2,6-diethylphenyl)propane-1-sulfonamide
SMILESCCc1cccc(CC)c1NS(=O)(=O)CCCN
InChIInChI=1S/C13H22N2O2S/c1-3-11-7-5-8-12(4-2)13(11)15-18(16,17)10-6-9-14/h5,7-8,15H,3-4,6,9-10,14H2,1-2H3
InChIKeyOBSDNHITQHDPOC-UHFFFAOYSA-N
XLogP1.90
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-N-(2,6-diethylphenyl)propane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-N-(2,6-diethylphenyl)butane-1-sulfonamide
CID 61456563
3-[(2,6-diethylphenyl)sulfamoyl]propanoic acid
CID 28514287
4-amino-N-[(2-ethylphenyl)methyl]butane-1-sulfonamide
CID 64682841
4-amino-N-(3-ethylphenyl)butane-1-sulfonamide
CID 54952501
3-amino-N-(3-ethoxyphenyl)propane-1-sulfonamide
CID 54967740
4-amino-N-(2-chloro-6-fluorophenyl)butane-1-sulfonamide
CID 106083654
N-(2,6-difluorophenyl)propane-1-sulfonamide
CID 60640758
N-(2,6-diethylphenyl)-3-fluoro-4-(propylsulfonylamino)benzenesulfonamide
CID 75435489
1-chloro-N-(2-ethyl-6-methylphenyl)methanesulfonamide
CID 63665094
N-(2,6-dihydroxyphenyl)hexadecane-1-sulfonamide
CID 22758999
4-amino-N-(6-methyl-2-pyridinyl)butane-1-sulfonamide
CID 61456032
3-amino-N-(3,4-dimethylphenyl)propane-1-sulfonamide
CID 60909550

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,6-diethylphenyl)propane-1-sulfonamide?
The IUPAC name of 3-amino-N-(2,6-diethylphenyl)propane-1-sulfonamide (CID 54944840) is 3-amino-N-(2,6-diethylphenyl)propane-1-sulfonamide.
What is the SMILES notation for 3-amino-N-(2,6-diethylphenyl)propane-1-sulfonamide?
The canonical SMILES for 3-amino-N-(2,6-diethylphenyl)propane-1-sulfonamide is CCc1cccc(CC)c1NS(=O)(=O)CCCN.
What is the InChIKey of 3-amino-N-(2,6-diethylphenyl)propane-1-sulfonamide?
The InChIKey is OBSDNHITQHDPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-3-11-7-5-8-12(4-2)13(11)15-18(16,17)10-6-9-14/h5,7-8,15H,3-4,6,9-10,14H2,1-2H3.
What are the key properties of 3-amino-N-(2,6-diethylphenyl)propane-1-sulfonamide?
3-amino-N-(2,6-diethylphenyl)propane-1-sulfonamide has a molecular weight of 270.40 g/mol, XLogP of 1.90, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,6-diethylphenyl)propane-1-sulfonamide is sourced from PubChem (CID 54944840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).