N-(5-amino-2-methylphenyl)-4-methylpiperidine-1-sulfonamide

C13H21N3O2S — CID 28783386

IUPACN-(5-amino-2-methylphenyl)-4-methylpiperidine-1-sulfonamide
SMILESCc1ccc(N)cc1NS(=O)(=O)N1CCC(C)CC1
InChIInChI=1S/C13H21N3O2S/c1-10-5-7-16(8-6-10)19(17,18)15-13-9-12(14)4-3-11(13)2/h3-4,9-10,15H,5-8,14H2,1-2H3
InChIKeyCFYXXEGLKXISMR-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.97
Rot. Bonds3

About N-(5-amino-2-methylphenyl)-4-methylpiperidine-1-sulfonamide

N-(5-amino-2-methylphenyl)-4-methylpiperidine-1-sulfonamide (PubChem CID 28783386) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-4-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-4-methylpiperidine-1-sulfonamide
PubChem CID28783386
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC NameN-(5-amino-2-methylphenyl)-4-methylpiperidine-1-sulfonamide
SMILESCc1ccc(N)cc1NS(=O)(=O)N1CCC(C)CC1
InChIInChI=1S/C13H21N3O2S/c1-10-5-7-16(8-6-10)19(17,18)15-13-9-12(14)4-3-11(13)2/h3-4,9-10,15H,5-8,14H2,1-2H3
InChIKeyCFYXXEGLKXISMR-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-(4-amino-5-chloro-2-methylphenyl)-4-methylpiperidine-1-sulfonamide
CID 104667663
N-(2-amino-5-fluorophenyl)-4-methylpiperidine-1-sulfonamide
CID 63257526
N-(5-amino-2-pyridinyl)-4-methylpiperidine-1-sulfonamide
CID 43144684
N-(3-amino-4-pyridinyl)-4-methylpiperidine-1-sulfonamide
CID 55147573
N-(5-amino-2-methylphenyl)-5-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide;hydrochloride
CID 120568556
N-(2-amino-6-bromo-4-methylphenyl)-4-methylpiperidine-1-sulfonamide
CID 116813743
N-(5-amino-2-methylphenyl)-2-cyclopropylethanesulfonamide
CID 112746873
N-(3-amino-4-ethylphenyl)-4-methylpiperidine-1-sulfonamide
CID 43551097
N-(5-amino-2-fluorophenyl)-3,5-dimethylpiperidine-1-sulfonamide
CID 43604955
N-[(5-amino-2-hydroxyphenyl)methyl]-4-methylpiperidine-1-sulfonamide
CID 43550340
N-(2-chloro-4-cyanophenyl)-4-methylpiperidine-1-sulfonamide
CID 107808236
3-(4-methylpiperidin-1-yl)sulfonylaniline
CID 3170436

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-4-methylpiperidine-1-sulfonamide?
The IUPAC name of N-(5-amino-2-methylphenyl)-4-methylpiperidine-1-sulfonamide (CID 28783386) is N-(5-amino-2-methylphenyl)-4-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-4-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)-4-methylpiperidine-1-sulfonamide is Cc1ccc(N)cc1NS(=O)(=O)N1CCC(C)CC1.
What is the InChIKey of N-(5-amino-2-methylphenyl)-4-methylpiperidine-1-sulfonamide?
The InChIKey is CFYXXEGLKXISMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-10-5-7-16(8-6-10)19(17,18)15-13-9-12(14)4-3-11(13)2/h3-4,9-10,15H,5-8,14H2,1-2H3.
What are the key properties of N-(5-amino-2-methylphenyl)-4-methylpiperidine-1-sulfonamide?
N-(5-amino-2-methylphenyl)-4-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-(5-amino-2-methylphenyl)-4-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 28783386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).