2-(3-aminophenoxy)-N-ethyl-N-(2-methylbutyl)ethanesulfonamide

C15H26N2O3S — CID 79481711

IUPAC2-(3-aminophenoxy)-N-ethyl-N-(2-methylbutyl)ethanesulfonamide
SMILESCCC(C)CN(CC)S(=O)(=O)CCOc1cccc(N)c1
InChIInChI=1S/C15H26N2O3S/c1-4-13(3)12-17(5-2)21(18,19)10-9-20-15-8-6-7-14(16)11-15/h6-8,11,13H,4-5,9-10,12,16H2,1-3H3
InChIKeyNHFLOSVZEGIAMI-UHFFFAOYSA-N
MW314.45 g/mol
LogP2.35
Rot. Bonds9

About 2-(3-aminophenoxy)-N-ethyl-N-(2-methylbutyl)ethanesulfonamide

2-(3-aminophenoxy)-N-ethyl-N-(2-methylbutyl)ethanesulfonamide (PubChem CID 79481711) has the molecular formula C15H26N2O3S and a molecular weight of 314.45 g/mol. Its IUPAC name is 2-(3-aminophenoxy)-N-ethyl-N-(2-methylbutyl)ethanesulfonamide.

Molecular Properties

Compound Name2-(3-aminophenoxy)-N-ethyl-N-(2-methylbutyl)ethanesulfonamide
PubChem CID79481711
Molecular FormulaC15H26N2O3S
Molecular Weight314.45 g/mol
Exact Mass314.17
IUPAC Name2-(3-aminophenoxy)-N-ethyl-N-(2-methylbutyl)ethanesulfonamide
SMILESCCC(C)CN(CC)S(=O)(=O)CCOc1cccc(N)c1
InChIInChI=1S/C15H26N2O3S/c1-4-13(3)12-17(5-2)21(18,19)10-9-20-15-8-6-7-14(16)11-15/h6-8,11,13H,4-5,9-10,12,16H2,1-3H3
InChIKeyNHFLOSVZEGIAMI-UHFFFAOYSA-N
XLogP2.35
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-aminophenoxy)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)ethanesulfonamide
CID 107478035
2-(4-aminophenyl)sulfanyl-N-ethyl-N-(2-methylbutyl)ethanesulfonamide
CID 79481705
3-[2-(2-methylsulfonylethylsulfonyl)ethoxy]aniline
CID 63658125
2-methylbutyl 3-(3-aminophenoxy)propanoate
CID 62103864
3-[3-[methyl(propan-2-yl)amino]propoxy]aniline
CID 43365525
1-[2-(3-aminophenoxy)ethylsulfonyl]propan-2-one
CID 82182930
3-(3-butan-2-ylsulfanylpropoxy)aniline
CID 43174525
2-[2-(3-aminophenoxy)ethylsulfonyl]acetamide
CID 82182921
4-amino-2,6-dichloro-N-ethyl-N-(2-methylbutyl)benzenesulfonamide
CID 79478104
2-(3-aminophenoxy)-N-(1,3-dihydroxypropan-2-yl)ethanesulfonamide
CID 65310670
3-[(2S)-2-(dimethylamino)propoxy]aniline
CID 169112356
3-N-ethyl-3-N-(2-methylbutyl)benzene-1,3-diamine
CID 63229637

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenoxy)-N-ethyl-N-(2-methylbutyl)ethanesulfonamide?
The IUPAC name of 2-(3-aminophenoxy)-N-ethyl-N-(2-methylbutyl)ethanesulfonamide (CID 79481711) is 2-(3-aminophenoxy)-N-ethyl-N-(2-methylbutyl)ethanesulfonamide.
What is the SMILES notation for 2-(3-aminophenoxy)-N-ethyl-N-(2-methylbutyl)ethanesulfonamide?
The canonical SMILES for 2-(3-aminophenoxy)-N-ethyl-N-(2-methylbutyl)ethanesulfonamide is CCC(C)CN(CC)S(=O)(=O)CCOc1cccc(N)c1.
What is the InChIKey of 2-(3-aminophenoxy)-N-ethyl-N-(2-methylbutyl)ethanesulfonamide?
The InChIKey is NHFLOSVZEGIAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3S/c1-4-13(3)12-17(5-2)21(18,19)10-9-20-15-8-6-7-14(16)11-15/h6-8,11,13H,4-5,9-10,12,16H2,1-3H3.
What are the key properties of 2-(3-aminophenoxy)-N-ethyl-N-(2-methylbutyl)ethanesulfonamide?
2-(3-aminophenoxy)-N-ethyl-N-(2-methylbutyl)ethanesulfonamide has a molecular weight of 314.45 g/mol, XLogP of 2.35, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenoxy)-N-ethyl-N-(2-methylbutyl)ethanesulfonamide is sourced from PubChem (CID 79481711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).