5-amino-N-(2-cyanopropyl)-N-ethyl-2-methylbenzenesulfonamide

C13H19N3O2S — CID 61138965

IUPAC5-amino-N-(2-cyanopropyl)-N-ethyl-2-methylbenzenesulfonamide
SMILESCCN(CC(C)C#N)S(=O)(=O)c1cc(N)ccc1C
InChIInChI=1S/C13H19N3O2S/c1-4-16(9-10(2)8-14)19(17,18)13-7-12(15)6-5-11(13)3/h5-7,10H,4,9,15H2,1-3H3
InChIKeyRDUGGRSTOXFLHI-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.75
Rot. Bonds5

About 5-amino-N-(2-cyanopropyl)-N-ethyl-2-methylbenzenesulfonamide

5-amino-N-(2-cyanopropyl)-N-ethyl-2-methylbenzenesulfonamide (PubChem CID 61138965) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is 5-amino-N-(2-cyanopropyl)-N-ethyl-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-(2-cyanopropyl)-N-ethyl-2-methylbenzenesulfonamide
PubChem CID61138965
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC Name5-amino-N-(2-cyanopropyl)-N-ethyl-2-methylbenzenesulfonamide
SMILESCCN(CC(C)C#N)S(=O)(=O)c1cc(N)ccc1C
InChIInChI=1S/C13H19N3O2S/c1-4-16(9-10(2)8-14)19(17,18)13-7-12(15)6-5-11(13)3/h5-7,10H,4,9,15H2,1-3H3
InChIKeyRDUGGRSTOXFLHI-UHFFFAOYSA-N
XLogP1.75
TPSA87.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-amino-N-(2-cyanopropyl)-N-ethyl-2-methylbenzenesulfonamide 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

5-amino-N-(2-cyanopropyl)-N-ethyl-2-fluorobenzenesulfonamide
CID 61141061
5-amino-N,N-diethyl-2-methylbenzenesulfonamide
CID 3643281
2-amino-N-(2-cyanopropyl)-N-ethyl-4-methylbenzenesulfonamide
CID 61138586
N-(2-cyanopropyl)-N-ethyl-3,4-dimethylbenzenesulfonamide
CID 47387971
5-amino-N-ethyl-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide
CID 54879902
3-amino-N-(2-cyanopropyl)-N-ethyl-2,4-difluorobenzenesulfonamide
CID 107343312
2-amino-N-(2-cyanopropyl)-N-ethyl-5-nitrobenzenesulfonamide
CID 62151323
2,5-dichloro-N-(2-cyanopropyl)-N-ethylbenzenesulfonamide
CID 47387966
5-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-methylbenzenesulfonamide
CID 103187524
N-(2-cyanopropyl)-N-ethyl-3-methylbenzenesulfonamide
CID 47387967
2-[(5-amino-2-methylphenyl)sulfonyl-(2-methylpropyl)amino]acetamide
CID 61115794
5-amino-N,2-dimethyl-N-(2-methylpropyl)benzenesulfonamide
CID 43271671

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-cyanopropyl)-N-ethyl-2-methylbenzenesulfonamide?
The IUPAC name of 5-amino-N-(2-cyanopropyl)-N-ethyl-2-methylbenzenesulfonamide (CID 61138965) is 5-amino-N-(2-cyanopropyl)-N-ethyl-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-N-(2-cyanopropyl)-N-ethyl-2-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-N-(2-cyanopropyl)-N-ethyl-2-methylbenzenesulfonamide is CCN(CC(C)C#N)S(=O)(=O)c1cc(N)ccc1C.
What is the InChIKey of 5-amino-N-(2-cyanopropyl)-N-ethyl-2-methylbenzenesulfonamide?
The InChIKey is RDUGGRSTOXFLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-4-16(9-10(2)8-14)19(17,18)13-7-12(15)6-5-11(13)3/h5-7,10H,4,9,15H2,1-3H3.
What are the key properties of 5-amino-N-(2-cyanopropyl)-N-ethyl-2-methylbenzenesulfonamide?
5-amino-N-(2-cyanopropyl)-N-ethyl-2-methylbenzenesulfonamide has a molecular weight of 281.38 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-cyanopropyl)-N-ethyl-2-methylbenzenesulfonamide is sourced from PubChem (CID 61138965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).