N-(4-amino-2-methoxyphenyl)piperidine-1-sulfonamide

C12H19N3O3S — CID 28783407

IUPACN-(4-amino-2-methoxyphenyl)piperidine-1-sulfonamide
SMILESCOc1cc(N)ccc1NS(=O)(=O)N1CCCCC1
InChIInChI=1S/C12H19N3O3S/c1-18-12-9-10(13)5-6-11(12)14-19(16,17)15-7-3-2-4-8-15/h5-6,9,14H,2-4,7-8,13H2,1H3
InChIKeyYAEUEDUENUMGQW-UHFFFAOYSA-N
MW285.37 g/mol
LogP1.42
Rot. Bonds4

About N-(4-amino-2-methoxyphenyl)piperidine-1-sulfonamide

N-(4-amino-2-methoxyphenyl)piperidine-1-sulfonamide (PubChem CID 28783407) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is N-(4-amino-2-methoxyphenyl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(4-amino-2-methoxyphenyl)piperidine-1-sulfonamide
PubChem CID28783407
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC NameN-(4-amino-2-methoxyphenyl)piperidine-1-sulfonamide
SMILESCOc1cc(N)ccc1NS(=O)(=O)N1CCCCC1
InChIInChI=1S/C12H19N3O3S/c1-18-12-9-10(13)5-6-11(12)14-19(16,17)15-7-3-2-4-8-15/h5-6,9,14H,2-4,7-8,13H2,1H3
InChIKeyYAEUEDUENUMGQW-UHFFFAOYSA-N
XLogP1.42
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(aminomethyl)-2-methoxyphenyl]pyrrolidine-1-sulfonamide
CID 104847754
N-(2-amino-4-methoxyphenyl)azepane-1-sulfonamide
CID 28783253
N-(2-amino-5-methoxyphenyl)piperidine-1-sulfonamide
CID 63258793
N-[4-amino-2-(trifluoromethyl)phenyl]piperidine-1-sulfonamide
CID 43550644
N-(4-chloro-2,5-dimethoxyphenyl)pyrrolidine-1-sulfonamide
CID 110705880
N-(4-amino-2-cyanophenyl)pyrrolidine-1-sulfonamide
CID 43550792
N-[(5-amino-2-methoxyphenyl)methyl]pyrrolidine-1-sulfonamide
CID 54903496
N-(4-amino-2-methoxyphenyl)-1-cyclohexylmethanesulfonamide
CID 61453809
N-(3-amino-2,4-dimethylphenyl)piperidine-1-sulfonamide
CID 54880821
N-(2-bromo-5-methoxyphenyl)azepane-1-sulfonamide
CID 63997402
N-(3-aminophenyl)piperidine-1-sulfonamide
CID 28783328
N-(4-amino-2-methoxyphenyl)-3,4-dimethylbenzenesulfonamide
CID 28941385

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methoxyphenyl)piperidine-1-sulfonamide?
The IUPAC name of N-(4-amino-2-methoxyphenyl)piperidine-1-sulfonamide (CID 28783407) is N-(4-amino-2-methoxyphenyl)piperidine-1-sulfonamide.
What is the SMILES notation for N-(4-amino-2-methoxyphenyl)piperidine-1-sulfonamide?
The canonical SMILES for N-(4-amino-2-methoxyphenyl)piperidine-1-sulfonamide is COc1cc(N)ccc1NS(=O)(=O)N1CCCCC1.
What is the InChIKey of N-(4-amino-2-methoxyphenyl)piperidine-1-sulfonamide?
The InChIKey is YAEUEDUENUMGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-18-12-9-10(13)5-6-11(12)14-19(16,17)15-7-3-2-4-8-15/h5-6,9,14H,2-4,7-8,13H2,1H3.
What are the key properties of N-(4-amino-2-methoxyphenyl)piperidine-1-sulfonamide?
N-(4-amino-2-methoxyphenyl)piperidine-1-sulfonamide has a molecular weight of 285.37 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methoxyphenyl)piperidine-1-sulfonamide is sourced from PubChem (CID 28783407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).