N-[1-(2-aminobenzoyl)piperidin-4-yl]-N-methylethanesulfonamide;hydrochloride

C15H24ClN3O3S — CID 119945365

IUPACN-[1-(2-aminobenzoyl)piperidin-4-yl]-N-methylethanesulfonamide;hydrochloride
SMILESCCS(=O)(=O)N(C)C1CCN(C(=O)c2ccccc2N)CC1.Cl
InChIInChI=1S/C15H23N3O3S.ClH/c1-3-22(20,21)17(2)12-8-10-18(11-9-12)15(19)13-6-4-5-7-14(13)16;/h4-7,12H,3,8-11,16H2,1-2H3;1H
InChIKeySOBRNPMZAPKUTQ-UHFFFAOYSA-N
MW361.90 g/mol
LogP1.58
Rot. Bonds4

About N-[1-(2-aminobenzoyl)piperidin-4-yl]-N-methylethanesulfonamide;hydrochloride

N-[1-(2-aminobenzoyl)piperidin-4-yl]-N-methylethanesulfonamide;hydrochloride (PubChem CID 119945365) has the molecular formula C15H24ClN3O3S and a molecular weight of 361.90 g/mol. Its IUPAC name is N-[1-(2-aminobenzoyl)piperidin-4-yl]-N-methylethanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(2-aminobenzoyl)piperidin-4-yl]-N-methylethanesulfonamide;hydrochloride
PubChem CID119945365
Molecular FormulaC15H24ClN3O3S
Molecular Weight361.90 g/mol
Exact Mass361.12
IUPAC NameN-[1-(2-aminobenzoyl)piperidin-4-yl]-N-methylethanesulfonamide;hydrochloride
SMILESCCS(=O)(=O)N(C)C1CCN(C(=O)c2ccccc2N)CC1.Cl
InChIInChI=1S/C15H23N3O3S.ClH/c1-3-22(20,21)17(2)12-8-10-18(11-9-12)15(19)13-6-4-5-7-14(13)16;/h4-7,12H,3,8-11,16H2,1-2H3;1H
InChIKeySOBRNPMZAPKUTQ-UHFFFAOYSA-N
XLogP1.58
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.90
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[1-(2-aminobenzoyl)piperidin-4-yl]-N-methylethanesulfonamide;hydrochloride 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

N-[1-(2-aminobenzoyl)piperidin-4-yl]propane-1-sulfonamide
CID 119944714
(2-aminophenyl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone
CID 60959683
(2-aminophenyl)-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]methanone
CID 119947007
1-(2-aminobenzoyl)-N-pentylpiperidine-4-carboxamide;hydrochloride
CID 119944482
1-(2-aminobenzoyl)piperidine-4-carboxylic acid
CID 1211390
(2-aminophenyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride
CID 119944243
(2-aminophenyl)-[4-(4-methylcyclohexyl)oxypiperidin-1-yl]methanone
CID 119945352
(2-aminophenyl)-(4-cyclopentyloxypiperidin-1-yl)methanone;hydrochloride
CID 119945190
(2-aminophenyl)-(4,4-dimethylpiperidin-1-yl)methanone
CID 62937023
(3-amino-2-chlorophenyl)-[4-(diethylamino)piperidin-1-yl]methanone
CID 115930393
(2-aminophenyl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119947130
[1-(2-aminobenzoyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 119944801

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-aminobenzoyl)piperidin-4-yl]-N-methylethanesulfonamide;hydrochloride?
The IUPAC name of N-[1-(2-aminobenzoyl)piperidin-4-yl]-N-methylethanesulfonamide;hydrochloride (CID 119945365) is N-[1-(2-aminobenzoyl)piperidin-4-yl]-N-methylethanesulfonamide;hydrochloride.
What is the SMILES notation for N-[1-(2-aminobenzoyl)piperidin-4-yl]-N-methylethanesulfonamide;hydrochloride?
The canonical SMILES for N-[1-(2-aminobenzoyl)piperidin-4-yl]-N-methylethanesulfonamide;hydrochloride is CCS(=O)(=O)N(C)C1CCN(C(=O)c2ccccc2N)CC1.Cl.
What is the InChIKey of N-[1-(2-aminobenzoyl)piperidin-4-yl]-N-methylethanesulfonamide;hydrochloride?
The InChIKey is SOBRNPMZAPKUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S.ClH/c1-3-22(20,21)17(2)12-8-10-18(11-9-12)15(19)13-6-4-5-7-14(13)16;/h4-7,12H,3,8-11,16H2,1-2H3;1H.
What are the key properties of N-[1-(2-aminobenzoyl)piperidin-4-yl]-N-methylethanesulfonamide;hydrochloride?
N-[1-(2-aminobenzoyl)piperidin-4-yl]-N-methylethanesulfonamide;hydrochloride has a molecular weight of 361.90 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-aminobenzoyl)piperidin-4-yl]-N-methylethanesulfonamide;hydrochloride is sourced from PubChem (CID 119945365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).