N-[2-(3-aminophenoxy)ethyl]pyrrolidine-1-sulfonamide

C12H19N3O3S — CID 54915246

IUPACN-[2-(3-aminophenoxy)ethyl]pyrrolidine-1-sulfonamide
SMILESNc1cccc(OCCNS(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C12H19N3O3S/c13-11-4-3-5-12(10-11)18-9-6-14-19(16,17)15-7-1-2-8-15/h3-5,10,14H,1-2,6-9,13H2
InChIKeyWTQBPNGNDHEQDA-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.58
Rot. Bonds6

About N-[2-(3-aminophenoxy)ethyl]pyrrolidine-1-sulfonamide

N-[2-(3-aminophenoxy)ethyl]pyrrolidine-1-sulfonamide (PubChem CID 54915246) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is N-[2-(3-aminophenoxy)ethyl]pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(3-aminophenoxy)ethyl]pyrrolidine-1-sulfonamide
PubChem CID54915246
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC NameN-[2-(3-aminophenoxy)ethyl]pyrrolidine-1-sulfonamide
SMILESNc1cccc(OCCNS(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C12H19N3O3S/c13-11-4-3-5-12(10-11)18-9-6-14-19(16,17)15-7-1-2-8-15/h3-5,10,14H,1-2,6-9,13H2
InChIKeyWTQBPNGNDHEQDA-UHFFFAOYSA-N
XLogP0.58
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3,4-dimethylphenoxy)ethyl]piperidine-1-sulfonamide
CID 38114249
2-[2-(3-aminophenoxy)ethylsulfamoyl]propanoic acid
CID 55173468
3-[2-(ethylsulfamoylamino)ethoxy]aniline
CID 114804647
N-[2-(4-chlorophenoxy)ethyl]piperidine-1-sulfonamide
CID 47149085
N-[(3-aminophenyl)methyl]azepane-1-sulfonamide
CID 43593573
N-(2-naphthalen-1-yloxyethyl)azepane-1-sulfonamide
CID 71889809
4-(aminomethyl)-N-(2-phenoxyethyl)piperidine-1-sulfonamide
CID 106018330
N-[2-(3-aminophenoxy)ethyl]-3,3-dimethylbutane-1-sulfonamide
CID 103520856
N-[3-(2-aminoethoxy)phenyl]azepane-1-sulfonamide
CID 43369656
(2R,6R)-N-[2-(3-fluorophenoxy)ethyl]-2,6-dimethylmorpholine-4-sulfonamide
CID 51946091
N-[2-(3-methoxyphenoxy)ethyl]-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
CID 55598696
N-[2-(3-aminophenoxy)ethyl]-5-bromo-3-methyltriazole-4-sulfonamide
CID 106465522

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-aminophenoxy)ethyl]pyrrolidine-1-sulfonamide?
The IUPAC name of N-[2-(3-aminophenoxy)ethyl]pyrrolidine-1-sulfonamide (CID 54915246) is N-[2-(3-aminophenoxy)ethyl]pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-[2-(3-aminophenoxy)ethyl]pyrrolidine-1-sulfonamide?
The canonical SMILES for N-[2-(3-aminophenoxy)ethyl]pyrrolidine-1-sulfonamide is Nc1cccc(OCCNS(=O)(=O)N2CCCC2)c1.
What is the InChIKey of N-[2-(3-aminophenoxy)ethyl]pyrrolidine-1-sulfonamide?
The InChIKey is WTQBPNGNDHEQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c13-11-4-3-5-12(10-11)18-9-6-14-19(16,17)15-7-1-2-8-15/h3-5,10,14H,1-2,6-9,13H2.
What are the key properties of N-[2-(3-aminophenoxy)ethyl]pyrrolidine-1-sulfonamide?
N-[2-(3-aminophenoxy)ethyl]pyrrolidine-1-sulfonamide has a molecular weight of 285.37 g/mol, XLogP of 0.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-aminophenoxy)ethyl]pyrrolidine-1-sulfonamide is sourced from PubChem (CID 54915246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).