N-(2-amino-5-methylphenyl)-2-methylpiperidine-1-sulfonamide

C13H21N3O2S — CID 112557464

IUPACN-(2-amino-5-methylphenyl)-2-methylpiperidine-1-sulfonamide
SMILESCc1ccc(N)c(NS(=O)(=O)N2CCCCC2C)c1
InChIInChI=1S/C13H21N3O2S/c1-10-6-7-12(14)13(9-10)15-19(17,18)16-8-4-3-5-11(16)2/h6-7,9,11,15H,3-5,8,14H2,1-2H3
InChIKeyPLNRTXDSNMONHD-UHFFFAOYSA-N
MW283.40 g/mol
LogP2.11
Rot. Bonds3

About N-(2-amino-5-methylphenyl)-2-methylpiperidine-1-sulfonamide

N-(2-amino-5-methylphenyl)-2-methylpiperidine-1-sulfonamide (PubChem CID 112557464) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is N-(2-amino-5-methylphenyl)-2-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-5-methylphenyl)-2-methylpiperidine-1-sulfonamide
PubChem CID112557464
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC NameN-(2-amino-5-methylphenyl)-2-methylpiperidine-1-sulfonamide
SMILESCc1ccc(N)c(NS(=O)(=O)N2CCCCC2C)c1
InChIInChI=1S/C13H21N3O2S/c1-10-6-7-12(14)13(9-10)15-19(17,18)16-8-4-3-5-11(16)2/h6-7,9,11,15H,3-5,8,14H2,1-2H3
InChIKeyPLNRTXDSNMONHD-UHFFFAOYSA-N
XLogP2.11
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-amino-5-methylphenyl)-2-methylpiperidine-1-sulfonamide 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-(4-amino-2-bromophenyl)-2-methylpiperidine-1-sulfonamide
CID 43550872
N-(3-amino-4-pyridinyl)-2-methylpiperidine-1-sulfonamide
CID 63063634
N-(2-amino-5-methylphenyl)-3-methylpiperidine-1-sulfonamide
CID 112557529
N-(4-bromo-2-fluorophenyl)-2-methylpiperidine-1-sulfonamide
CID 43096857
N-(2-chloro-4-iodophenyl)-2-methylpiperidine-1-sulfonamide
CID 107606867
2-[(2-methylpiperidin-1-yl)sulfonylamino]benzoic acid
CID 43210819
N-[2-(3-aminoprop-1-ynyl)phenyl]-2-methylpiperidine-1-sulfonamide
CID 60814619
3-methyl-2-[(2-methylpiperidin-1-yl)sulfonylamino]benzoic acid
CID 43107263
3-methyl-5-(2-methylpiperidin-1-yl)sulfonylaniline
CID 43255635
2-methyl-N-(1,2,3,4-tetrahydroquinolin-5-yl)piperidine-1-sulfonamide
CID 43093895
2-chloro-5-[(2-methylpiperidin-1-yl)sulfonylamino]benzoic acid
CID 60862727
4-[(2-methylpiperidin-1-yl)sulfonylamino]pyridine-2-carboxylic acid
CID 63651770

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-methylphenyl)-2-methylpiperidine-1-sulfonamide?
The IUPAC name of N-(2-amino-5-methylphenyl)-2-methylpiperidine-1-sulfonamide (CID 112557464) is N-(2-amino-5-methylphenyl)-2-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-(2-amino-5-methylphenyl)-2-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-(2-amino-5-methylphenyl)-2-methylpiperidine-1-sulfonamide is Cc1ccc(N)c(NS(=O)(=O)N2CCCCC2C)c1.
What is the InChIKey of N-(2-amino-5-methylphenyl)-2-methylpiperidine-1-sulfonamide?
The InChIKey is PLNRTXDSNMONHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-10-6-7-12(14)13(9-10)15-19(17,18)16-8-4-3-5-11(16)2/h6-7,9,11,15H,3-5,8,14H2,1-2H3.
What are the key properties of N-(2-amino-5-methylphenyl)-2-methylpiperidine-1-sulfonamide?
N-(2-amino-5-methylphenyl)-2-methylpiperidine-1-sulfonamide has a molecular weight of 283.40 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-methylphenyl)-2-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 112557464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).