N-[1-(4-aminobenzoyl)piperidin-4-yl]ethanesulfonamide

C14H21N3O3S — CID 60962899

IUPACN-[1-(4-aminobenzoyl)piperidin-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCN(C(=O)c2ccc(N)cc2)CC1
InChIInChI=1S/C14H21N3O3S/c1-2-21(19,20)16-13-7-9-17(10-8-13)14(18)11-3-5-12(15)6-4-11/h3-6,13,16H,2,7-10,15H2,1H3
InChIKeyBBJMMKQSHDIZAJ-UHFFFAOYSA-N
MW311.41 g/mol
LogP0.81
Rot. Bonds4

About N-[1-(4-aminobenzoyl)piperidin-4-yl]ethanesulfonamide

N-[1-(4-aminobenzoyl)piperidin-4-yl]ethanesulfonamide (PubChem CID 60962899) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is N-[1-(4-aminobenzoyl)piperidin-4-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[1-(4-aminobenzoyl)piperidin-4-yl]ethanesulfonamide
PubChem CID60962899
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC NameN-[1-(4-aminobenzoyl)piperidin-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCN(C(=O)c2ccc(N)cc2)CC1
InChIInChI=1S/C14H21N3O3S/c1-2-21(19,20)16-13-7-9-17(10-8-13)14(18)11-3-5-12(15)6-4-11/h3-6,13,16H,2,7-10,15H2,1H3
InChIKeyBBJMMKQSHDIZAJ-UHFFFAOYSA-N
XLogP0.81
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[1-(4-aminobenzoyl)piperidin-4-yl]ethanesulfonamide 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-(3,4-dichlorobenzoyl)piperidin-4-yl]ethanesulfonamide
CID 108563505
N-[1-(3-aminopyridine-2-carbonyl)piperidin-4-yl]ethanesulfonamide
CID 104741726
N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butane-1-sulfonamide
CID 110821222
N-[1-[4-(difluoromethylsulfanyl)benzoyl]piperidin-4-yl]propane-1-sulfonamide
CID 38817744
N-[1-(4-phenylbenzoyl)piperidin-4-yl]butane-1-sulfonamide
CID 108563683
1-(4-aminobenzoyl)-N-ethylpiperidine-4-carboxamide
CID 60963126
N-[1-(2-bromobenzoyl)piperidin-4-yl]ethanesulfonamide
CID 60767390
N-[1-(4-amino-1-methylpyrazole-5-carbonyl)piperidin-4-yl]ethanesulfonamide
CID 65359684
N-[1-(2-aminobenzoyl)piperidin-4-yl]propane-1-sulfonamide
CID 119944714
(4-aminophenyl)-(4-propan-2-ylazepan-1-yl)methanone;hydrochloride
CID 119787850
(4-aminophenyl)-(4-butan-2-ylazepan-1-yl)methanone
CID 123190801
N-[1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]piperidin-4-yl]propane-1-sulfonamide
CID 55655289

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-aminobenzoyl)piperidin-4-yl]ethanesulfonamide?
The IUPAC name of N-[1-(4-aminobenzoyl)piperidin-4-yl]ethanesulfonamide (CID 60962899) is N-[1-(4-aminobenzoyl)piperidin-4-yl]ethanesulfonamide.
What is the SMILES notation for N-[1-(4-aminobenzoyl)piperidin-4-yl]ethanesulfonamide?
The canonical SMILES for N-[1-(4-aminobenzoyl)piperidin-4-yl]ethanesulfonamide is CCS(=O)(=O)NC1CCN(C(=O)c2ccc(N)cc2)CC1.
What is the InChIKey of N-[1-(4-aminobenzoyl)piperidin-4-yl]ethanesulfonamide?
The InChIKey is BBJMMKQSHDIZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-2-21(19,20)16-13-7-9-17(10-8-13)14(18)11-3-5-12(15)6-4-11/h3-6,13,16H,2,7-10,15H2,1H3.
What are the key properties of N-[1-(4-aminobenzoyl)piperidin-4-yl]ethanesulfonamide?
N-[1-(4-aminobenzoyl)piperidin-4-yl]ethanesulfonamide has a molecular weight of 311.41 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-aminobenzoyl)piperidin-4-yl]ethanesulfonamide is sourced from PubChem (CID 60962899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).