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

C14H24N2O3S — CID 103520856

IUPACN-[2-(3-aminophenoxy)ethyl]-3,3-dimethylbutane-1-sulfonamide
SMILESCC(C)(C)CCS(=O)(=O)NCCOc1cccc(N)c1
InChIInChI=1S/C14H24N2O3S/c1-14(2,3)7-10-20(17,18)16-8-9-19-13-6-4-5-12(15)11-13/h4-6,11,16H,7-10,15H2,1-3H3
InChIKeyBNSCTNXZNPXCOL-UHFFFAOYSA-N
MW300.42 g/mol
LogP2.00
Rot. Bonds7

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

N-[2-(3-aminophenoxy)ethyl]-3,3-dimethylbutane-1-sulfonamide (PubChem CID 103520856) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is N-[2-(3-aminophenoxy)ethyl]-3,3-dimethylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(3-aminophenoxy)ethyl]-3,3-dimethylbutane-1-sulfonamide
PubChem CID103520856
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC NameN-[2-(3-aminophenoxy)ethyl]-3,3-dimethylbutane-1-sulfonamide
SMILESCC(C)(C)CCS(=O)(=O)NCCOc1cccc(N)c1
InChIInChI=1S/C14H24N2O3S/c1-14(2,3)7-10-20(17,18)16-8-9-19-13-6-4-5-12(15)11-13/h4-6,11,16H,7-10,15H2,1-3H3
InChIKeyBNSCTNXZNPXCOL-UHFFFAOYSA-N
XLogP2.00
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 52.00
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

3-[2-(ethylsulfamoylamino)ethoxy]aniline
CID 114804647
2-(3-aminophenoxy)-N-but-3-enylethanesulfonamide
CID 113465308
N-[2-(3-aminophenoxy)ethyl]pyrrolidine-1-sulfonamide
CID 54915246
2-[2-(3-aminophenoxy)ethylsulfamoyl]propanoic acid
CID 55173468
3-[2-(4-methylsulfonylanilino)ethoxy]aniline
CID 61031379
N-[2-(3-aminophenoxy)ethyl]-2,2-dimethylbutanamide
CID 62679121
3-[2-(2-methylsulfonylethylsulfonyl)ethoxy]aniline
CID 63658125
3-[3-(trimethoxy-λ4-sulfanyl)propoxy]aniline
CID 172622042
2-(3-aminophenoxy)-N-[(2-methylcyclopentyl)methyl]ethanesulfonamide
CID 107416406
N-[2-(3-aminophenoxy)ethyl]-5-bromo-3-methyltriazole-4-sulfonamide
CID 106465522
N-[2-(3-aminophenoxy)ethyl]-3-methylpyrazin-2-amine
CID 83064262
N-[2-(3-aminophenoxy)ethyl]-6-methylpyridin-2-amine
CID 61031885

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-aminophenoxy)ethyl]-3,3-dimethylbutane-1-sulfonamide?
The IUPAC name of N-[2-(3-aminophenoxy)ethyl]-3,3-dimethylbutane-1-sulfonamide (CID 103520856) is N-[2-(3-aminophenoxy)ethyl]-3,3-dimethylbutane-1-sulfonamide.
What is the SMILES notation for N-[2-(3-aminophenoxy)ethyl]-3,3-dimethylbutane-1-sulfonamide?
The canonical SMILES for N-[2-(3-aminophenoxy)ethyl]-3,3-dimethylbutane-1-sulfonamide is CC(C)(C)CCS(=O)(=O)NCCOc1cccc(N)c1.
What is the InChIKey of N-[2-(3-aminophenoxy)ethyl]-3,3-dimethylbutane-1-sulfonamide?
The InChIKey is BNSCTNXZNPXCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-14(2,3)7-10-20(17,18)16-8-9-19-13-6-4-5-12(15)11-13/h4-6,11,16H,7-10,15H2,1-3H3.
What are the key properties of N-[2-(3-aminophenoxy)ethyl]-3,3-dimethylbutane-1-sulfonamide?
N-[2-(3-aminophenoxy)ethyl]-3,3-dimethylbutane-1-sulfonamide has a molecular weight of 300.42 g/mol, XLogP of 2.00, 7 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]-3,3-dimethylbutane-1-sulfonamide is sourced from PubChem (CID 103520856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).