N-(2-amino-5-methylphenyl)-3-methylpiperidine-1-sulfonamide

C13H21N3O2S — CID 112557529

IUPACN-(2-amino-5-methylphenyl)-3-methylpiperidine-1-sulfonamide
SMILESCc1ccc(N)c(NS(=O)(=O)N2CCCC(C)C2)c1
InChIInChI=1S/C13H21N3O2S/c1-10-5-6-12(14)13(8-10)15-19(17,18)16-7-3-4-11(2)9-16/h5-6,8,11,15H,3-4,7,9,14H2,1-2H3
InChIKeyGRMMYGGJSDVWMV-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.97
Rot. Bonds3

About N-(2-amino-5-methylphenyl)-3-methylpiperidine-1-sulfonamide

N-(2-amino-5-methylphenyl)-3-methylpiperidine-1-sulfonamide (PubChem CID 112557529) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is N-(2-amino-5-methylphenyl)-3-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-5-methylphenyl)-3-methylpiperidine-1-sulfonamide
PubChem CID112557529
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC NameN-(2-amino-5-methylphenyl)-3-methylpiperidine-1-sulfonamide
SMILESCc1ccc(N)c(NS(=O)(=O)N2CCCC(C)C2)c1
InChIInChI=1S/C13H21N3O2S/c1-10-5-6-12(14)13(8-10)15-19(17,18)16-7-3-4-11(2)9-16/h5-6,8,11,15H,3-4,7,9,14H2,1-2H3
InChIKeyGRMMYGGJSDVWMV-UHFFFAOYSA-N
XLogP1.97
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 ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-amino-2-bromo-4-methylphenyl)-3-methylpiperidine-1-sulfonamide
CID 104814631
N-(4-amino-3-bromophenyl)-3-methylpiperidine-1-sulfonamide
CID 82861668
N-(2-amino-6-methylphenyl)-3-methylpiperidine-1-sulfonamide
CID 43330087
N-(2-amino-5-methylphenyl)-2-methylpiperidine-1-sulfonamide
CID 112557464
N-(2-amino-4-bromo-6-methylphenyl)-3-methylpiperidine-1-sulfonamide
CID 43551014
N-(3-amino-4-bromophenyl)-3-methylpiperidine-1-sulfonamide
CID 79768125
N-(4-bromo-2-methylphenyl)-3-methylpiperidine-1-sulfonamide
CID 43102128
(3S)-3-methyl-1-(4-methylphenyl)sulfonylpiperidine
CID 668967
N-[2-(aminomethyl)-3-methylphenyl]-3-methylpiperidine-1-sulfonamide
CID 107802306
N-(4-chloro-2-iodophenyl)-3-methylpiperidine-1-sulfonamide
CID 107640819
1-[(2,5-dimethylphenyl)sulfamoyl]piperidine-3-carboxylic acid
CID 60858070
2-methyl-3-[(3-methylpiperidin-1-yl)sulfonylamino]benzoic acid
CID 62946764

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-methylphenyl)-3-methylpiperidine-1-sulfonamide?
The IUPAC name of N-(2-amino-5-methylphenyl)-3-methylpiperidine-1-sulfonamide (CID 112557529) is N-(2-amino-5-methylphenyl)-3-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-(2-amino-5-methylphenyl)-3-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-(2-amino-5-methylphenyl)-3-methylpiperidine-1-sulfonamide is Cc1ccc(N)c(NS(=O)(=O)N2CCCC(C)C2)c1.
What is the InChIKey of N-(2-amino-5-methylphenyl)-3-methylpiperidine-1-sulfonamide?
The InChIKey is GRMMYGGJSDVWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-10-5-6-12(14)13(8-10)15-19(17,18)16-7-3-4-11(2)9-16/h5-6,8,11,15H,3-4,7,9,14H2,1-2H3.
What are the key properties of N-(2-amino-5-methylphenyl)-3-methylpiperidine-1-sulfonamide?
N-(2-amino-5-methylphenyl)-3-methylpiperidine-1-sulfonamide has a molecular weight of 283.40 g/mol, XLogP of 1.97, 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)-3-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 112557529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).