4-amino-N-(1-ethylpiperidin-3-yl)-2-methylbenzenesulfonamide

C14H23N3O2S — CID 61169182

IUPAC4-amino-N-(1-ethylpiperidin-3-yl)-2-methylbenzenesulfonamide
SMILESCCN1CCCC(NS(=O)(=O)c2ccc(N)cc2C)C1
InChIInChI=1S/C14H23N3O2S/c1-3-17-8-4-5-13(10-17)16-20(18,19)14-7-6-12(15)9-11(14)2/h6-7,9,13,16H,3-5,8,10,15H2,1-2H3
InChIKeyQRPYMSJGJOCBQJ-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.34
Rot. Bonds4

About 4-amino-N-(1-ethylpiperidin-3-yl)-2-methylbenzenesulfonamide

4-amino-N-(1-ethylpiperidin-3-yl)-2-methylbenzenesulfonamide (PubChem CID 61169182) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 4-amino-N-(1-ethylpiperidin-3-yl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(1-ethylpiperidin-3-yl)-2-methylbenzenesulfonamide
PubChem CID61169182
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name4-amino-N-(1-ethylpiperidin-3-yl)-2-methylbenzenesulfonamide
SMILESCCN1CCCC(NS(=O)(=O)c2ccc(N)cc2C)C1
InChIInChI=1S/C14H23N3O2S/c1-3-17-8-4-5-13(10-17)16-20(18,19)14-7-6-12(15)9-11(14)2/h6-7,9,13,16H,3-5,8,10,15H2,1-2H3
InChIKeyQRPYMSJGJOCBQJ-UHFFFAOYSA-N
XLogP1.34
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-(1-ethylpiperidin-3-yl)-2-methylbenzenesulfonamide
CID 61170995
3-amino-N-(1-ethylpiperidin-3-yl)-5-methylbenzenesulfonamide
CID 61171917
N-(1-ethylpiperidin-3-yl)-2-hydroxybenzenesulfonamide
CID 81242229
4-(aminomethyl)-N-(1-ethylpiperidin-3-yl)benzenesulfonamide
CID 61476754
3-amino-N-(1-ethylpiperidin-3-yl)pyridine-2-sulfonamide
CID 103305213
4-amino-N-(1-ethylpiperidin-3-yl)-3-methoxybenzenesulfonamide
CID 81440822
5-bromo-4-[(1-ethylpiperidin-3-yl)sulfamoyl]furan-2-carboxylic acid
CID 62829355
3-amino-N-(1-ethylpiperidin-3-yl)-1-propylpyrazole-4-sulfonamide
CID 61170162
N-(1-ethylpiperidin-3-yl)-4-hydroxybenzenesulfonamide
CID 61478239
2-chloro-5-cyano-N-(1-ethylpiperidin-3-yl)benzenesulfonamide
CID 80697990
ethane;N-(1-ethylpiperidin-3-yl)benzenesulfonamide;molecular hydrogen
CID 162749983
3-bromo-N-(1-ethylpiperidin-3-yl)benzenesulfonamide
CID 47350084

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-ethylpiperidin-3-yl)-2-methylbenzenesulfonamide?
The IUPAC name of 4-amino-N-(1-ethylpiperidin-3-yl)-2-methylbenzenesulfonamide (CID 61169182) is 4-amino-N-(1-ethylpiperidin-3-yl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 4-amino-N-(1-ethylpiperidin-3-yl)-2-methylbenzenesulfonamide?
The canonical SMILES for 4-amino-N-(1-ethylpiperidin-3-yl)-2-methylbenzenesulfonamide is CCN1CCCC(NS(=O)(=O)c2ccc(N)cc2C)C1.
What is the InChIKey of 4-amino-N-(1-ethylpiperidin-3-yl)-2-methylbenzenesulfonamide?
The InChIKey is QRPYMSJGJOCBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-3-17-8-4-5-13(10-17)16-20(18,19)14-7-6-12(15)9-11(14)2/h6-7,9,13,16H,3-5,8,10,15H2,1-2H3.
What are the key properties of 4-amino-N-(1-ethylpiperidin-3-yl)-2-methylbenzenesulfonamide?
4-amino-N-(1-ethylpiperidin-3-yl)-2-methylbenzenesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-ethylpiperidin-3-yl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 61169182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).