3-(3-aminopiperidine-1-carbonyl)-N-(2-methoxyethyl)benzenesulfonamide;hydrochloride

C15H24ClN3O4S — CID 119377248

IUPAC3-(3-aminopiperidine-1-carbonyl)-N-(2-methoxyethyl)benzenesulfonamide;hydrochloride
SMILESCOCCNS(=O)(=O)c1cccc(C(=O)N2CCCC(N)C2)c1.Cl
InChIInChI=1S/C15H23N3O4S.ClH/c1-22-9-7-17-23(20,21)14-6-2-4-12(10-14)15(19)18-8-3-5-13(16)11-18;/h2,4,6,10,13,17H,3,5,7-9,11,16H2,1H3;1H
InChIKeyLLRIBPNIUMUQIS-UHFFFAOYSA-N
MW377.89 g/mol
LogP0.60
Rot. Bonds6

About 3-(3-aminopiperidine-1-carbonyl)-N-(2-methoxyethyl)benzenesulfonamide;hydrochloride

3-(3-aminopiperidine-1-carbonyl)-N-(2-methoxyethyl)benzenesulfonamide;hydrochloride (PubChem CID 119377248) has the molecular formula C15H24ClN3O4S and a molecular weight of 377.89 g/mol. Its IUPAC name is 3-(3-aminopiperidine-1-carbonyl)-N-(2-methoxyethyl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name3-(3-aminopiperidine-1-carbonyl)-N-(2-methoxyethyl)benzenesulfonamide;hydrochloride
PubChem CID119377248
Molecular FormulaC15H24ClN3O4S
Molecular Weight377.89 g/mol
Exact Mass377.12
IUPAC Name3-(3-aminopiperidine-1-carbonyl)-N-(2-methoxyethyl)benzenesulfonamide;hydrochloride
SMILESCOCCNS(=O)(=O)c1cccc(C(=O)N2CCCC(N)C2)c1.Cl
InChIInChI=1S/C15H23N3O4S.ClH/c1-22-9-7-17-23(20,21)14-6-2-4-12(10-14)15(19)18-8-3-5-13(16)11-18;/h2,4,6,10,13,17H,3,5,7-9,11,16H2,1H3;1H
InChIKeyLLRIBPNIUMUQIS-UHFFFAOYSA-N
XLogP0.60
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.89
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-(2-methoxyethyl)benzenesulfonamide;hydrochloride
CID 119409333
4-(3-aminopiperidine-1-carbonyl)-N-(2-methoxyethyl)benzenesulfonamide;hydrochloride
CID 119379182
3-[4-(cyclobutanecarbonyl)piperazine-1-carbonyl]-N-(2-methoxyethyl)benzenesulfonamide
CID 56511421
N-(2-methoxyethyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 55565689
N-(cyclopropylmethyl)-3-(3-ethylpiperidine-1-carbonyl)benzenesulfonamide
CID 55655065
3-(3-aminopiperidine-1-carbonyl)-N-(4-methylphenyl)benzenesulfonamide
CID 119380154
3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119412500
N-(3-methylbutyl)-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 109065260
methyl 3-(3-aminopiperidine-1-carbonyl)benzoate
CID 176515174
N-ethyl-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 46798331
N-(2-methoxyethyl)-4-methyl-3-[3-(methylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride
CID 119394953
3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-cyclopentylbenzenesulfonamide;hydrochloride
CID 119409335

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopiperidine-1-carbonyl)-N-(2-methoxyethyl)benzenesulfonamide;hydrochloride?
The IUPAC name of 3-(3-aminopiperidine-1-carbonyl)-N-(2-methoxyethyl)benzenesulfonamide;hydrochloride (CID 119377248) is 3-(3-aminopiperidine-1-carbonyl)-N-(2-methoxyethyl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for 3-(3-aminopiperidine-1-carbonyl)-N-(2-methoxyethyl)benzenesulfonamide;hydrochloride?
The canonical SMILES for 3-(3-aminopiperidine-1-carbonyl)-N-(2-methoxyethyl)benzenesulfonamide;hydrochloride is COCCNS(=O)(=O)c1cccc(C(=O)N2CCCC(N)C2)c1.Cl.
What is the InChIKey of 3-(3-aminopiperidine-1-carbonyl)-N-(2-methoxyethyl)benzenesulfonamide;hydrochloride?
The InChIKey is LLRIBPNIUMUQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4S.ClH/c1-22-9-7-17-23(20,21)14-6-2-4-12(10-14)15(19)18-8-3-5-13(16)11-18;/h2,4,6,10,13,17H,3,5,7-9,11,16H2,1H3;1H.
What are the key properties of 3-(3-aminopiperidine-1-carbonyl)-N-(2-methoxyethyl)benzenesulfonamide;hydrochloride?
3-(3-aminopiperidine-1-carbonyl)-N-(2-methoxyethyl)benzenesulfonamide;hydrochloride has a molecular weight of 377.89 g/mol, XLogP of 0.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopiperidine-1-carbonyl)-N-(2-methoxyethyl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 119377248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).