5-amino-3-(3-ethoxypiperidin-1-yl)-2-methylbenzenesulfonamide

C14H23N3O3S — CID 79900397

IUPAC5-amino-3-(3-ethoxypiperidin-1-yl)-2-methylbenzenesulfonamide
SMILESCCOC1CCCN(c2cc(N)cc(S(N)(=O)=O)c2C)C1
InChIInChI=1S/C14H23N3O3S/c1-3-20-12-5-4-6-17(9-12)13-7-11(15)8-14(10(13)2)21(16,18)19/h7-8,12H,3-6,9,15H2,1-2H3,(H2,16,18,19)
InChIKeyQNDHJOBJQDIJIK-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.23
Rot. Bonds4

About 5-amino-3-(3-ethoxypiperidin-1-yl)-2-methylbenzenesulfonamide

5-amino-3-(3-ethoxypiperidin-1-yl)-2-methylbenzenesulfonamide (PubChem CID 79900397) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 5-amino-3-(3-ethoxypiperidin-1-yl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-3-(3-ethoxypiperidin-1-yl)-2-methylbenzenesulfonamide
PubChem CID79900397
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name5-amino-3-(3-ethoxypiperidin-1-yl)-2-methylbenzenesulfonamide
SMILESCCOC1CCCN(c2cc(N)cc(S(N)(=O)=O)c2C)C1
InChIInChI=1S/C14H23N3O3S/c1-3-20-12-5-4-6-17(9-12)13-7-11(15)8-14(10(13)2)21(16,18)19/h7-8,12H,3-6,9,15H2,1-2H3,(H2,16,18,19)
InChIKeyQNDHJOBJQDIJIK-UHFFFAOYSA-N
XLogP1.23
TPSA98.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-amino-3-(3-ethoxypiperidin-1-yl)-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-2-methyl-3-(3-methylpiperidin-1-yl)benzenesulfonamide
CID 79897251
5-amino-2-methyl-3-(4-propan-2-ylpiperidin-1-yl)benzenesulfonamide
CID 103505164
5-amino-3-(3-hydroxy-4-methylpiperidin-1-yl)-2-methylbenzenesulfonamide
CID 102955514
5-amino-2-(3-methoxypiperidin-1-yl)benzenesulfonamide
CID 102955753
2-amino-3-(3-propoxypiperidin-1-yl)benzenesulfonamide
CID 115992523
5-amino-2-methyl-3-(4-methylpiperazin-1-yl)benzenesulfonamide
CID 79896990
[4-(3-ethoxypiperidin-1-yl)-3-methylphenyl]methanamine
CID 55135292
5-bromo-6-(3-ethoxypiperidin-1-yl)pyridin-3-amine
CID 79532466
5-amino-2-methyl-3-(2-propan-2-ylpyrrolidin-1-yl)benzenesulfonamide
CID 79905007
1-(5-amino-2-methyl-3-sulfamoylphenyl)pyrrolidine-2-carboxamide
CID 79896461
3-(3-ethoxypiperidin-1-yl)-2-nitroaniline
CID 80805662
2-(3-ethoxypiperidin-1-yl)benzaldehyde
CID 54990320

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(3-ethoxypiperidin-1-yl)-2-methylbenzenesulfonamide?
The IUPAC name of 5-amino-3-(3-ethoxypiperidin-1-yl)-2-methylbenzenesulfonamide (CID 79900397) is 5-amino-3-(3-ethoxypiperidin-1-yl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-3-(3-ethoxypiperidin-1-yl)-2-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-3-(3-ethoxypiperidin-1-yl)-2-methylbenzenesulfonamide is CCOC1CCCN(c2cc(N)cc(S(N)(=O)=O)c2C)C1.
What is the InChIKey of 5-amino-3-(3-ethoxypiperidin-1-yl)-2-methylbenzenesulfonamide?
The InChIKey is QNDHJOBJQDIJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-3-20-12-5-4-6-17(9-12)13-7-11(15)8-14(10(13)2)21(16,18)19/h7-8,12H,3-6,9,15H2,1-2H3,(H2,16,18,19).
What are the key properties of 5-amino-3-(3-ethoxypiperidin-1-yl)-2-methylbenzenesulfonamide?
5-amino-3-(3-ethoxypiperidin-1-yl)-2-methylbenzenesulfonamide has a molecular weight of 313.42 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(3-ethoxypiperidin-1-yl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 79900397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).