N-(3-amino-2,4-dimethylphenyl)piperidine-1-sulfonamide

C13H21N3O2S — CID 54880821

IUPACN-(3-amino-2,4-dimethylphenyl)piperidine-1-sulfonamide
SMILESCc1ccc(NS(=O)(=O)N2CCCCC2)c(C)c1N
InChIInChI=1S/C13H21N3O2S/c1-10-6-7-12(11(2)13(10)14)15-19(17,18)16-8-4-3-5-9-16/h6-7,15H,3-5,8-9,14H2,1-2H3
InChIKeyTZUIMZDEJPJCHY-UHFFFAOYSA-N
MW283.40 g/mol
LogP2.03
Rot. Bonds3

About N-(3-amino-2,4-dimethylphenyl)piperidine-1-sulfonamide

N-(3-amino-2,4-dimethylphenyl)piperidine-1-sulfonamide (PubChem CID 54880821) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is N-(3-amino-2,4-dimethylphenyl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(3-amino-2,4-dimethylphenyl)piperidine-1-sulfonamide
PubChem CID54880821
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC NameN-(3-amino-2,4-dimethylphenyl)piperidine-1-sulfonamide
SMILESCc1ccc(NS(=O)(=O)N2CCCCC2)c(C)c1N
InChIInChI=1S/C13H21N3O2S/c1-10-6-7-12(11(2)13(10)14)15-19(17,18)16-8-4-3-5-9-16/h6-7,15H,3-5,8-9,14H2,1-2H3
InChIKeyTZUIMZDEJPJCHY-UHFFFAOYSA-N
XLogP2.03
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 ≤ 52.03
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-(3-amino-2,4-dimethylphenyl)morpholine-4-sulfonamide
CID 54880810
N-(4-amino-2,5-dimethylphenyl)azepane-1-sulfonamide
CID 103144757
N-(5-bromo-2-methylphenyl)piperidine-1-sulfonamide
CID 43806682
N-(2-methyl-5-sulfamoylphenyl)piperidine-1-sulfonamide
CID 61132651
N-(4-amino-2-methoxyphenyl)piperidine-1-sulfonamide
CID 28783407
3-(azepan-1-ylsulfonylamino)-4-methylbenzenecarbothioamide
CID 62105771
N-(2-amino-4-methoxyphenyl)azepane-1-sulfonamide
CID 28783253
2-methyl-6-(piperidin-1-ylsulfonylamino)benzenecarbothioamide
CID 107799131
N-(2-amino-5-methoxyphenyl)piperidine-1-sulfonamide
CID 63258793
N-(3-amino-2,4-dimethylphenyl)-3,5-dimethylbenzenesulfonamide
CID 60972705
N-[4-amino-2-(trifluoromethyl)phenyl]piperidine-1-sulfonamide
CID 43550644
N-(3-amino-4-pyridinyl)piperidine-1-sulfonamide
CID 63063461

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,4-dimethylphenyl)piperidine-1-sulfonamide?
The IUPAC name of N-(3-amino-2,4-dimethylphenyl)piperidine-1-sulfonamide (CID 54880821) is N-(3-amino-2,4-dimethylphenyl)piperidine-1-sulfonamide.
What is the SMILES notation for N-(3-amino-2,4-dimethylphenyl)piperidine-1-sulfonamide?
The canonical SMILES for N-(3-amino-2,4-dimethylphenyl)piperidine-1-sulfonamide is Cc1ccc(NS(=O)(=O)N2CCCCC2)c(C)c1N.
What is the InChIKey of N-(3-amino-2,4-dimethylphenyl)piperidine-1-sulfonamide?
The InChIKey is TZUIMZDEJPJCHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-10-6-7-12(11(2)13(10)14)15-19(17,18)16-8-4-3-5-9-16/h6-7,15H,3-5,8-9,14H2,1-2H3.
What are the key properties of N-(3-amino-2,4-dimethylphenyl)piperidine-1-sulfonamide?
N-(3-amino-2,4-dimethylphenyl)piperidine-1-sulfonamide has a molecular weight of 283.40 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,4-dimethylphenyl)piperidine-1-sulfonamide is sourced from PubChem (CID 54880821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).