N-[[1-(4-aminobenzoyl)piperidin-3-yl]methyl]methanesulfonamide

C14H21N3O3S — CID 60963148

IUPACN-[[1-(4-aminobenzoyl)piperidin-3-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CCCN(C(=O)c2ccc(N)cc2)C1
InChIInChI=1S/C14H21N3O3S/c1-21(19,20)16-9-11-3-2-8-17(10-11)14(18)12-4-6-13(15)7-5-12/h4-7,11,16H,2-3,8-10,15H2,1H3
InChIKeyYFYFWQPAXZTUDT-UHFFFAOYSA-N
MW311.41 g/mol
LogP0.67
Rot. Bonds4

About N-[[1-(4-aminobenzoyl)piperidin-3-yl]methyl]methanesulfonamide

N-[[1-(4-aminobenzoyl)piperidin-3-yl]methyl]methanesulfonamide (PubChem CID 60963148) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is N-[[1-(4-aminobenzoyl)piperidin-3-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[1-(4-aminobenzoyl)piperidin-3-yl]methyl]methanesulfonamide
PubChem CID60963148
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC NameN-[[1-(4-aminobenzoyl)piperidin-3-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CCCN(C(=O)c2ccc(N)cc2)C1
InChIInChI=1S/C14H21N3O3S/c1-21(19,20)16-9-11-3-2-8-17(10-11)14(18)12-4-6-13(15)7-5-12/h4-7,11,16H,2-3,8-10,15H2,1H3
InChIKeyYFYFWQPAXZTUDT-UHFFFAOYSA-N
XLogP0.67
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 ≤ 50.67
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-3-yl]methyl]methanesulfonamide 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-(4-aminophenyl)acetyl]piperidin-3-yl]methyl]methanesulfonamide;hydrochloride
CID 119722466
N-[[1-[4-(1,2,4-triazol-1-yl)benzoyl]piperidin-3-yl]methyl]methanesulfonamide
CID 47044267
N-[1-(4-aminobenzoyl)piperidin-3-yl]methanesulfonamide
CID 60945770
N-[[1-(1,3-benzodioxole-5-carbonyl)piperidin-3-yl]methyl]methanesulfonamide
CID 51079196
N-[[1-(7,8-dihydronaphthalene-2-carbonyl)piperidin-3-yl]methyl]methanesulfonamide
CID 146085244
N-[[(3R)-1-[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]benzoyl]piperidin-3-yl]methyl]methanesulfonamide
CID 100842649
N-[[(3R)-1-[4-(pyrazol-1-ylmethyl)benzoyl]piperidin-3-yl]methyl]methanesulfonamide
CID 51954491
2-[1-(4-aminobenzoyl)piperidin-3-yl]acetic acid
CID 62690994
N-[[1-[3,5-bis(trifluoromethyl)benzoyl]piperidin-3-yl]methyl]methanesulfonamide
CID 55666094
N-[[(3S)-1-(2-bromobenzoyl)piperidin-3-yl]methyl]methanesulfonamide
CID 51889560
N-[[1-(3-methylfuran-2-carbonyl)piperidin-3-yl]methyl]methanesulfonamide
CID 47180844
3-[[(4-aminobenzoyl)amino]methyl]piperidine-1-carboxylic acid
CID 68520586

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-aminobenzoyl)piperidin-3-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[1-(4-aminobenzoyl)piperidin-3-yl]methyl]methanesulfonamide (CID 60963148) is N-[[1-(4-aminobenzoyl)piperidin-3-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[1-(4-aminobenzoyl)piperidin-3-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[1-(4-aminobenzoyl)piperidin-3-yl]methyl]methanesulfonamide is CS(=O)(=O)NCC1CCCN(C(=O)c2ccc(N)cc2)C1.
What is the InChIKey of N-[[1-(4-aminobenzoyl)piperidin-3-yl]methyl]methanesulfonamide?
The InChIKey is YFYFWQPAXZTUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-21(19,20)16-9-11-3-2-8-17(10-11)14(18)12-4-6-13(15)7-5-12/h4-7,11,16H,2-3,8-10,15H2,1H3.
What are the key properties of N-[[1-(4-aminobenzoyl)piperidin-3-yl]methyl]methanesulfonamide?
N-[[1-(4-aminobenzoyl)piperidin-3-yl]methyl]methanesulfonamide has a molecular weight of 311.41 g/mol, XLogP of 0.67, 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-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 60963148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).