3-amino-N-ethyl-2-methyl-N-propan-2-ylbenzenesulfonamide

C12H20N2O2S — CID 43265428

IUPAC3-amino-N-ethyl-2-methyl-N-propan-2-ylbenzenesulfonamide
SMILESCCN(C(C)C)S(=O)(=O)c1cccc(N)c1C
InChIInChI=1S/C12H20N2O2S/c1-5-14(9(2)3)17(15,16)12-8-6-7-11(13)10(12)4/h6-9H,5,13H2,1-4H3
InChIKeyINMYIZMLWMUNBO-UHFFFAOYSA-N
MW256.37 g/mol
LogP2.00
Rot. Bonds4

About 3-amino-N-ethyl-2-methyl-N-propan-2-ylbenzenesulfonamide

3-amino-N-ethyl-2-methyl-N-propan-2-ylbenzenesulfonamide (PubChem CID 43265428) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 3-amino-N-ethyl-2-methyl-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-ethyl-2-methyl-N-propan-2-ylbenzenesulfonamide
PubChem CID43265428
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name3-amino-N-ethyl-2-methyl-N-propan-2-ylbenzenesulfonamide
SMILESCCN(C(C)C)S(=O)(=O)c1cccc(N)c1C
InChIInChI=1S/C12H20N2O2S/c1-5-14(9(2)3)17(15,16)12-8-6-7-11(13)10(12)4/h6-9H,5,13H2,1-4H3
InChIKeyINMYIZMLWMUNBO-UHFFFAOYSA-N
XLogP2.00
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-amino-N-ethyl-2-methyl-N-propan-2-ylbenzenesulfonamide 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

3-amino-2-methyl-N-pentyl-N-propan-2-ylbenzenesulfonamide
CID 61112417
3-amino-2-methyl-N-(2-methylpropyl)-N-pentan-3-ylbenzenesulfonamide
CID 79490206
3-amino-N-(2-cyanoethyl)-2-methyl-N-propan-2-ylbenzenesulfonamide
CID 43577683
3-amino-N,2-dimethyl-N-(2-methylbutyl)benzenesulfonamide
CID 43295489
3-amino-N,2-dimethyl-N-(3-methylbutyl)benzenesulfonamide
CID 61114369
2-[(3-amino-2-methylphenyl)sulfonyl-ethylamino]acetamide
CID 103101019
3-[(3-amino-2-methylphenyl)sulfonyl-methylamino]-N,2-dimethylpropanamide
CID 106914050
2-[(3-amino-2-methylphenyl)sulfonyl-methylamino]-N-ethylacetamide
CID 55134560
3-amino-2-methyl-N-pentan-3-ylbenzenesulfonamide
CID 29302571
2-amino-N-ethyl-4-methoxy-N-propan-2-ylbenzenesulfonamide
CID 43265430
3-amino-2-methyl-N-(2-methylpentan-3-yl)benzenesulfonamide
CID 54955050
3-amino-N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 43526071

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-2-methyl-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 3-amino-N-ethyl-2-methyl-N-propan-2-ylbenzenesulfonamide (CID 43265428) is 3-amino-N-ethyl-2-methyl-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-ethyl-2-methyl-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-ethyl-2-methyl-N-propan-2-ylbenzenesulfonamide is CCN(C(C)C)S(=O)(=O)c1cccc(N)c1C.
What is the InChIKey of 3-amino-N-ethyl-2-methyl-N-propan-2-ylbenzenesulfonamide?
The InChIKey is INMYIZMLWMUNBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-5-14(9(2)3)17(15,16)12-8-6-7-11(13)10(12)4/h6-9H,5,13H2,1-4H3.
What are the key properties of 3-amino-N-ethyl-2-methyl-N-propan-2-ylbenzenesulfonamide?
3-amino-N-ethyl-2-methyl-N-propan-2-ylbenzenesulfonamide has a molecular weight of 256.37 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-2-methyl-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 43265428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).