3-[2-(ethylsulfamoylamino)ethoxy]aniline

C10H17N3O3S — CID 114804647

IUPAC3-[2-(ethylsulfamoylamino)ethoxy]aniline
SMILESCCNS(=O)(=O)NCCOc1cccc(N)c1
InChIInChI=1S/C10H17N3O3S/c1-2-12-17(14,15)13-6-7-16-10-5-3-4-9(11)8-10/h3-5,8,12-13H,2,6-7,11H2,1H3
InChIKeyLFQNTDFMVJNFFA-UHFFFAOYSA-N
MW259.33 g/mol
LogP0.09
Rot. Bonds7

About 3-[2-(ethylsulfamoylamino)ethoxy]aniline

3-[2-(ethylsulfamoylamino)ethoxy]aniline (PubChem CID 114804647) has the molecular formula C10H17N3O3S and a molecular weight of 259.33 g/mol. Its IUPAC name is 3-[2-(ethylsulfamoylamino)ethoxy]aniline.

Molecular Properties

Compound Name3-[2-(ethylsulfamoylamino)ethoxy]aniline
PubChem CID114804647
Molecular FormulaC10H17N3O3S
Molecular Weight259.33 g/mol
Exact Mass259.10
IUPAC Name3-[2-(ethylsulfamoylamino)ethoxy]aniline
SMILESCCNS(=O)(=O)NCCOc1cccc(N)c1
InChIInChI=1S/C10H17N3O3S/c1-2-12-17(14,15)13-6-7-16-10-5-3-4-9(11)8-10/h3-5,8,12-13H,2,6-7,11H2,1H3
InChIKeyLFQNTDFMVJNFFA-UHFFFAOYSA-N
XLogP0.09
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 50.09
H-Bond Donors ≤ 53
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-aminophenoxy)ethyl]-3,3-dimethylbutane-1-sulfonamide
CID 103520856
N-[2-(3-aminophenoxy)ethyl]pyrrolidine-1-sulfonamide
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2-[2-(3-aminophenoxy)ethylsulfamoyl]propanoic acid
CID 55173468
N-(ethylsulfamoyl)-2-(4-methoxyphenoxy)ethanamine
CID 110415082
3-[2-(4-methylsulfonylanilino)ethoxy]aniline
CID 61031379
N-[2-(3-aminophenoxy)ethyl]-5-bromo-3-methyltriazole-4-sulfonamide
CID 106465522
N-[2-(3-aminophenoxy)ethyl]-3-bromothiophene-2-sulfonamide
CID 61458147
3-(2-ethylsulfinylethoxy)aniline
CID 61303448
N-[2-(3-aminophenoxy)ethyl]-2,2-dimethylbutanamide
CID 62679121
3-[2-(2-methylsulfonylethylsulfonyl)ethoxy]aniline
CID 63658125
4-amino-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
CID 9158032
2-(3-aminophenoxy)-N-but-3-enylethanesulfonamide
CID 113465308

Frequently Asked Questions

What is the IUPAC name of 3-[2-(ethylsulfamoylamino)ethoxy]aniline?
The IUPAC name of 3-[2-(ethylsulfamoylamino)ethoxy]aniline (CID 114804647) is 3-[2-(ethylsulfamoylamino)ethoxy]aniline.
What is the SMILES notation for 3-[2-(ethylsulfamoylamino)ethoxy]aniline?
The canonical SMILES for 3-[2-(ethylsulfamoylamino)ethoxy]aniline is CCNS(=O)(=O)NCCOc1cccc(N)c1.
What is the InChIKey of 3-[2-(ethylsulfamoylamino)ethoxy]aniline?
The InChIKey is LFQNTDFMVJNFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S/c1-2-12-17(14,15)13-6-7-16-10-5-3-4-9(11)8-10/h3-5,8,12-13H,2,6-7,11H2,1H3.
What are the key properties of 3-[2-(ethylsulfamoylamino)ethoxy]aniline?
3-[2-(ethylsulfamoylamino)ethoxy]aniline has a molecular weight of 259.33 g/mol, XLogP of 0.09, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(ethylsulfamoylamino)ethoxy]aniline is sourced from PubChem (CID 114804647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).