4-amino-N-(1-ethylpiperidin-3-yl)-3-methoxybenzenesulfonamide

C14H23N3O3S — CID 81440822

IUPAC4-amino-N-(1-ethylpiperidin-3-yl)-3-methoxybenzenesulfonamide
SMILESCCN1CCCC(NS(=O)(=O)c2ccc(N)c(OC)c2)C1
InChIInChI=1S/C14H23N3O3S/c1-3-17-8-4-5-11(10-17)16-21(18,19)12-6-7-13(15)14(9-12)20-2/h6-7,9,11,16H,3-5,8,10,15H2,1-2H3
InChIKeyILANRWYOCSNJCI-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.04
Rot. Bonds5

About 4-amino-N-(1-ethylpiperidin-3-yl)-3-methoxybenzenesulfonamide

4-amino-N-(1-ethylpiperidin-3-yl)-3-methoxybenzenesulfonamide (PubChem CID 81440822) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 4-amino-N-(1-ethylpiperidin-3-yl)-3-methoxybenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(1-ethylpiperidin-3-yl)-3-methoxybenzenesulfonamide
PubChem CID81440822
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name4-amino-N-(1-ethylpiperidin-3-yl)-3-methoxybenzenesulfonamide
SMILESCCN1CCCC(NS(=O)(=O)c2ccc(N)c(OC)c2)C1
InChIInChI=1S/C14H23N3O3S/c1-3-17-8-4-5-11(10-17)16-21(18,19)12-6-7-13(15)14(9-12)20-2/h6-7,9,11,16H,3-5,8,10,15H2,1-2H3
InChIKeyILANRWYOCSNJCI-UHFFFAOYSA-N
XLogP1.04
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-amino-N-(1-ethylpiperidin-3-yl)-3-methoxybenzenesulfonamide 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-cyclopentyl-3-methoxybenzenesulfonamide
CID 81437928
N-[(3S)-1-ethylpiperidin-3-yl]naphthalene-2-sulfonamide
CID 52534323
4-(aminomethyl)-N-(1-ethylpiperidin-3-yl)benzenesulfonamide
CID 61476754
N-(1-ethylpiperidin-3-yl)-4-hydroxybenzenesulfonamide
CID 61478239
3-amino-N-(1-ethylpiperidin-3-yl)-5-methylbenzenesulfonamide
CID 61171917
3-bromo-N-(1-ethylpiperidin-3-yl)benzenesulfonamide
CID 47350084
N-[(3R)-1-ethylpiperidin-3-yl]-4-propan-2-ylbenzenesulfonamide
CID 52534305
ethane;N-(1-ethylpiperidin-3-yl)benzenesulfonamide;molecular hydrogen
CID 162749983
4-amino-N-(1-ethylpiperidin-3-yl)-2-methylbenzenesulfonamide
CID 61169182
3-amino-N-(1-ethylpiperidin-3-yl)pyridine-2-sulfonamide
CID 103305213
3-amino-N-cyclohexyl-4-methoxybenzenesulfonamide
CID 43105855
4-amino-N-(1-benzylpiperidin-3-yl)-3-fluorobenzenesulfonamide
CID 113343263

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-ethylpiperidin-3-yl)-3-methoxybenzenesulfonamide?
The IUPAC name of 4-amino-N-(1-ethylpiperidin-3-yl)-3-methoxybenzenesulfonamide (CID 81440822) is 4-amino-N-(1-ethylpiperidin-3-yl)-3-methoxybenzenesulfonamide.
What is the SMILES notation for 4-amino-N-(1-ethylpiperidin-3-yl)-3-methoxybenzenesulfonamide?
The canonical SMILES for 4-amino-N-(1-ethylpiperidin-3-yl)-3-methoxybenzenesulfonamide is CCN1CCCC(NS(=O)(=O)c2ccc(N)c(OC)c2)C1.
What is the InChIKey of 4-amino-N-(1-ethylpiperidin-3-yl)-3-methoxybenzenesulfonamide?
The InChIKey is ILANRWYOCSNJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-3-17-8-4-5-11(10-17)16-21(18,19)12-6-7-13(15)14(9-12)20-2/h6-7,9,11,16H,3-5,8,10,15H2,1-2H3.
What are the key properties of 4-amino-N-(1-ethylpiperidin-3-yl)-3-methoxybenzenesulfonamide?
4-amino-N-(1-ethylpiperidin-3-yl)-3-methoxybenzenesulfonamide has a molecular weight of 313.42 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-ethylpiperidin-3-yl)-3-methoxybenzenesulfonamide is sourced from PubChem (CID 81440822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).