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

C13H21N3O2S — CID 61126995

IUPAC3-amino-N-(1-ethylpiperidin-4-yl)benzenesulfonamide
SMILESCCN1CCC(NS(=O)(=O)c2cccc(N)c2)CC1
InChIInChI=1S/C13H21N3O2S/c1-2-16-8-6-12(7-9-16)15-19(17,18)13-5-3-4-11(14)10-13/h3-5,10,12,15H,2,6-9,14H2,1H3
InChIKeyACFYRMIWQCGIDB-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.03
Rot. Bonds4

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

3-amino-N-(1-ethylpiperidin-4-yl)benzenesulfonamide (PubChem CID 61126995) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 3-amino-N-(1-ethylpiperidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(1-ethylpiperidin-4-yl)benzenesulfonamide
PubChem CID61126995
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name3-amino-N-(1-ethylpiperidin-4-yl)benzenesulfonamide
SMILESCCN1CCC(NS(=O)(=O)c2cccc(N)c2)CC1
InChIInChI=1S/C13H21N3O2S/c1-2-16-8-6-12(7-9-16)15-19(17,18)13-5-3-4-11(14)10-13/h3-5,10,12,15H,2,6-9,14H2,1H3
InChIKeyACFYRMIWQCGIDB-UHFFFAOYSA-N
XLogP1.03
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.03
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

3-amino-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
CID 54949568
4-amino-N-(1-ethylpiperidin-4-yl)-3-fluorobenzenesulfonamide
CID 82844406
3-amino-N-(oxan-4-yl)benzenesulfonamide
CID 43609614
2-chloro-N-(1-ethylpiperidin-4-yl)pyridine-4-sulfonamide
CID 61047090
4-ethoxy-N-(1-ethylpiperidin-4-yl)benzenesulfonamide
CID 22772564
3-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzenesulfonamide
CID 65472151
2-amino-4-chloro-N-(1-ethylpiperidin-4-yl)benzenesulfonamide
CID 61125265
2-amino-5-bromo-N-(1-ethylpiperidin-4-yl)benzenesulfonamide
CID 61126998
N-cyclohexyl-3-(4-ethylpiperazine-1-carbonyl)benzenesulfonamide
CID 109063351
3-acetyl-N-(1-propylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 51204299
2-[4-[(3-fluorophenyl)sulfonylamino]piperidin-1-yl]-N-methylacetamide
CID 34267887
3-bromo-N-(1-ethylpiperidin-3-yl)benzenesulfonamide
CID 47350084

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-ethylpiperidin-4-yl)benzenesulfonamide?
The IUPAC name of 3-amino-N-(1-ethylpiperidin-4-yl)benzenesulfonamide (CID 61126995) is 3-amino-N-(1-ethylpiperidin-4-yl)benzenesulfonamide.
What is the SMILES notation for 3-amino-N-(1-ethylpiperidin-4-yl)benzenesulfonamide?
The canonical SMILES for 3-amino-N-(1-ethylpiperidin-4-yl)benzenesulfonamide is CCN1CCC(NS(=O)(=O)c2cccc(N)c2)CC1.
What is the InChIKey of 3-amino-N-(1-ethylpiperidin-4-yl)benzenesulfonamide?
The InChIKey is ACFYRMIWQCGIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-2-16-8-6-12(7-9-16)15-19(17,18)13-5-3-4-11(14)10-13/h3-5,10,12,15H,2,6-9,14H2,1H3.
What are the key properties of 3-amino-N-(1-ethylpiperidin-4-yl)benzenesulfonamide?
3-amino-N-(1-ethylpiperidin-4-yl)benzenesulfonamide has a molecular weight of 283.40 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-ethylpiperidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 61126995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).